5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine

C115H174N20O4 — CID 167699101

IUPAC5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(C23CC(C2)C3)cn1.CC(C)c1ccc(CN2CCOCC2)o1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cnc(CN2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COc1nc(C(C)C)ccc1C1=NCCN1
InChIInChI=1S/C14H21N3O.C14H22N2.C13H21N3.C13H20N2.C13H17N.C12H17N3O.C12H19N3.C12H18N2.C12H19NO2/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)13-9-14-12(8-15-13)10-16-6-4-3-5-7-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-4-3-11(8-14-12)13-5-10(6-13)7-13;1-8(2)10-5-4-9(12(15-10)16-3)11-13-6-7-14-11;1-10(2)11-8-13-12(14-9-11)15-6-4-3-5-7-15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-10(2)12-4-3-11(15-12)9-13-5-7-14-8-6-13/h4-5,10-11H,6-9H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;8-9,11H,3-7,10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,8-10H,5-7H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);8-10H,3-7H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3
InChIKeyYCMROHLKIYUCMI-UHFFFAOYSA-N
MW1900.79 g/mol
LogP23.55
Rot. Bonds21

About 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine

5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 167699101) has the molecular formula C115H174N20O4 and a molecular weight of 1900.79 g/mol. Its IUPAC name is 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID167699101
Molecular FormulaC115H174N20O4
Molecular Weight1900.79 g/mol
Exact Mass1899.40
IUPAC Name5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(C23CC(C2)C3)cn1.CC(C)c1ccc(CN2CCOCC2)o1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cnc(CN2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COc1nc(C(C)C)ccc1C1=NCCN1
InChIInChI=1S/C14H21N3O.C14H22N2.C13H21N3.C13H20N2.C13H17N.C12H17N3O.C12H19N3.C12H18N2.C12H19NO2/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)13-9-14-12(8-15-13)10-16-6-4-3-5-7-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-4-3-11(8-14-12)13-5-10(6-13)7-13;1-8(2)10-5-4-9(12(15-10)16-3)11-13-6-7-14-11;1-10(2)11-8-13-12(14-9-11)15-6-4-3-5-7-15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-10(2)12-4-3-11(15-12)9-13-5-7-14-8-6-13/h4-5,10-11H,6-9H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;8-9,11H,3-7,10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,8-10H,5-7H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);8-10H,3-7H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3
InChIKeyYCMROHLKIYUCMI-UHFFFAOYSA-N
XLogP23.55
TPSA227.88 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.79
LogP ≤ 523.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
4-tert-butylmorpholine;2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine
CID 167610376
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,3-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine-3-carbonitrile;3-fluoro-2-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine;5-propan-2-yl-2H-tetrazole;N,N,4-trimethyl-5-propan-2-ylpyridin-2-amine
CID 159870732
1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 161331172
2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-tert-butyl-2-(3-methylpyrrolidin-1-yl)pyridine;5-tert-butyl-3-methyl-2-pyrrolidin-1-ylpyridine;[(2S)-1-(5-tert-butyl-2-pyridinyl)pyrrolidin-2-yl]methanol;N-cyclohexyl-5-propan-2-ylpyridin-2-amine;methane;2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;2-(3-methylazetidin-1-yl)-5-propan-2-ylpyridine;2-(2-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;[(2R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-2-yl]methanol;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 159539398
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
1-morpholin-4-yl-2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]oxy]ethanone
CID 82252518

Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 167699101) is 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(C23CC(C2)C3)cn1.CC(C)c1ccc(CN2CCOCC2)o1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cnc(CN2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2)nc1.CC1CCN(c2ccc(C(C)C)cn2)CC1.COc1nc(C(C)C)ccc1C1=NCCN1.
What is the InChIKey of 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is YCMROHLKIYUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C14H22N2.C13H21N3.C13H20N2.C13H17N.C12H17N3O.C12H19N3.C12H18N2.C12H19NO2/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-11(2)13-9-14-12(8-15-13)10-16-6-4-3-5-7-16;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-4-3-11(8-14-12)13-5-10(6-13)7-13;1-8(2)10-5-4-9(12(15-10)16-3)11-13-6-7-14-11;1-10(2)11-8-13-12(14-9-11)15-6-4-3-5-7-15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-10(2)12-4-3-11(15-12)9-13-5-7-14-8-6-13/h4-5,10-11H,6-9H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;8-9,11H,3-7,10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,8-10H,5-7H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);8-10H,3-7H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3.
What are the key properties of 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine?
5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 1900.79 g/mol, XLogP of 23.55, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 167699101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).