1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine

C124H198N30OS3 — CID 160956461

IUPAC1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1cnc(N2CCN(C(C)C)CC2)s1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CC(C)c1ncc(N2CCN(C(C)C)CC2)s1.Cc1nn(C)c2cnc(-c3cc(C(C)C)ccn3)nc12.Cc1nn(C)c2cnc(C(C)C)nc12
InChIInChI=1S/C16H26N2.C15H17N5.C15H23N3O.C15H25N3.C14H24N4.3C13H23N3S.C10H14N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-9(2)11-5-6-16-12(7-11)15-17-8-13-14(18-15)10(3)19-20(13)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;1-10(2)13-14-9-12(17-13)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-14-13(17-12)16-7-5-15(6-8-16)11(3)4;1-6(2)10-11-5-8-9(12-10)7(3)13-14(8)4/h5-7,12-14H,8-11H2,1-4H3;5-9H,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;5-6H,1-4H3
InChIKeySWLJRLJXSMKNPM-UHFFFAOYSA-N
MW2221.36 g/mol
LogP22.97
Rot. Bonds24

About 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine

1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine (PubChem CID 160956461) has the molecular formula C124H198N30OS3 and a molecular weight of 2221.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine
PubChem CID160956461
Molecular FormulaC124H198N30OS3
Molecular Weight2221.36 g/mol
Exact Mass2219.55
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1cnc(N2CCN(C(C)C)CC2)s1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CC(C)c1ncc(N2CCN(C(C)C)CC2)s1.Cc1nn(C)c2cnc(-c3cc(C(C)C)ccn3)nc12.Cc1nn(C)c2cnc(C(C)C)nc12
InChIInChI=1S/C16H26N2.C15H17N5.C15H23N3O.C15H25N3.C14H24N4.3C13H23N3S.C10H14N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-9(2)11-5-6-16-12(7-11)15-17-8-13-14(18-15)10(3)19-20(13)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;1-10(2)13-14-9-12(17-13)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-14-13(17-12)16-7-5-15(6-8-16)11(3)4;1-6(2)10-11-5-8-9(12-10)7(3)13-14(8)4/h5-7,12-14H,8-11H2,1-4H3;5-9H,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;5-6H,1-4H3
InChIKeySWLJRLJXSMKNPM-UHFFFAOYSA-N
XLogP22.97
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.36
LogP ≤ 522.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;5-(3-methylbutyl)-1,3-thiazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 157232677
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 158126927
3-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158642183
2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine
CID 159442323
[2-[6-(Azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 159801551
(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
CID 161299578
2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 161576503
3-[[2-ethoxyethyl(ethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(2-methylbutan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine;6-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123677597
4-[2-[7-[2-[2-[8-[2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridin-6-yl]-9H-imidazo[4,5-h]quinolin-2-yl]ethyl]-7-methylpyrazolo[1,5-a]pyrazin-4-yl]-4-methylpyrazolo[1,5-a]pyrazin-2-yl]ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 137284663
2-[1-Pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,3-thiazolidin-2-yl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3-benzothiazole
CID 141054319
Ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980072
N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 145245160

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine (CID 160956461) is 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine is CC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1cnc(N2CCN(C(C)C)CC2)s1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CC(C)c1ncc(N2CCN(C(C)C)CC2)s1.Cc1nn(C)c2cnc(-c3cc(C(C)C)ccn3)nc12.Cc1nn(C)c2cnc(C(C)C)nc12.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The InChIKey is SWLJRLJXSMKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H17N5.C15H23N3O.C15H25N3.C14H24N4.3C13H23N3S.C10H14N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-9(2)11-5-6-16-12(7-11)15-17-8-13-14(18-15)10(3)19-20(13)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;1-10(2)13-14-9-12(17-13)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-10(2)12-9-14-13(17-12)16-7-5-15(6-8-16)11(3)4;1-6(2)10-11-5-8-9(12-10)7(3)13-14(8)4/h5-7,12-14H,8-11H2,1-4H3;5-9H,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine has a molecular weight of 2221.36 g/mol, XLogP of 22.97, 24 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine is sourced from PubChem (CID 160956461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).