N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide

C84H114Br3ClN40O3S3 — CID 159308094

IUPACN-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide
SMILESC.C.CC(=O)Nc1ccccc1.CC(=O)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(SCCO)cnn12.Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12
InChIInChI=1S/C20H23N7S2.C12H17N7O.C12H18N6OS.C10H12Br2N6.C10H12BrClN6.C10H15N7.C8H9NO.2CH4/c21-14-5-6-25(11-14)19-9-18(22)27-20(24-19)17(10-23-27)26(12-15-3-1-7-28-15)13-16-4-2-8-29-16;1-7(20)16-9-5-15-19-10(14)4-11(17-12(9)19)18-3-2-8(13)6-18;13-8-1-2-17(7-8)11-5-10(14)18-12(16-11)9(6-15-18)20-4-3-19;2*11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-6-1-2-16(5-6)9-3-8(13)17-10(15-9)7(12)4-14-17;1-7(10)9-8-5-3-2-4-6-8;;/h1-4,7-10,14H,5-6,11-13,21-22H2;4-5,8H,2-3,6,13-14H2,1H3,(H,16,20);5-6,8,19H,1-4,7,13-14H2;2*3,5H,1-2,4,13-14H2;3-4,6H,1-2,5,11-13H2;2-6H,1H3,(H,9,10);2*1H4/t14-;2*8-;2*5-;6-;;;/m000110.../s1
InChIKeyLCEHCEGAPRJDIM-NWWMQIFVSA-N
MW2103.48 g/mol
LogP7.91
Rot. Bonds16

About N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide

N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide (PubChem CID 159308094) has the molecular formula C84H114Br3ClN40O3S3 and a molecular weight of 2103.48 g/mol. Its IUPAC name is N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide.

Molecular Properties

Compound NameN-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide
PubChem CID159308094
Molecular FormulaC84H114Br3ClN40O3S3
Molecular Weight2103.48 g/mol
Exact Mass2098.64
IUPAC NameN-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide
SMILESC.C.CC(=O)Nc1ccccc1.CC(=O)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(SCCO)cnn12.Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12
InChIInChI=1S/C20H23N7S2.C12H17N7O.C12H18N6OS.C10H12Br2N6.C10H12BrClN6.C10H15N7.C8H9NO.2CH4/c21-14-5-6-25(11-14)19-9-18(22)27-20(24-19)17(10-23-27)26(12-15-3-1-7-28-15)13-16-4-2-8-29-16;1-7(20)16-9-5-15-19-10(14)4-11(17-12(9)19)18-3-2-8(13)6-18;13-8-1-2-17(7-8)11-5-10(14)18-12(16-11)9(6-15-18)20-4-3-19;2*11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-6-1-2-16(5-6)9-3-8(13)17-10(15-9)7(12)4-14-17;1-7(10)9-8-5-3-2-4-6-8;;/h1-4,7-10,14H,5-6,11-13,21-22H2;4-5,8H,2-3,6,13-14H2,1H3,(H,16,20);5-6,8,19H,1-4,7,13-14H2;2*3,5H,1-2,4,13-14H2;3-4,6H,1-2,5,11-13H2;2-6H,1H3,(H,9,10);2*1H4/t14-;2*8-;2*5-;6-;;;/m000110.../s1
InChIKeyLCEHCEGAPRJDIM-NWWMQIFVSA-N
XLogP7.91
TPSA620.51 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.48
LogP ≤ 57.91
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Analyze N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide with MolForge

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Related Compounds

2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol;2-phenylsulfanylprop-2-en-1-imine;5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 145499676
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol;N-methyl-2-phenylsulfanylprop-2-en-1-imine;5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 145499678
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol;ethane;N-methyl-2-phenylsulfanylprop-2-en-1-imine;5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 145499686
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol;ethane;methanamine;N-methyl-2-phenylsulfanylprop-2-en-1-imine;5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 145499972
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol;ethane;2-phenylsulfanylprop-2-en-1-imine;5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 145500940
2-[7-[[5-[[[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]amino]-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol
CID 148803918
N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate
CID 157112616
5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-propylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157217511
5-[(3S)-3-aminopyrrolidin-1-yl]-3-N-(1-anilinoethenyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 157402012
1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3R)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158828888
N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 160562071
N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160667743

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide?
The IUPAC name of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide (CID 159308094) is N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide.
What is the SMILES notation for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide?
The canonical SMILES for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide is C.C.CC(=O)Nc1ccccc1.CC(=O)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(SCCO)cnn12.Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.
What is the InChIKey of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide?
The InChIKey is LCEHCEGAPRJDIM-NWWMQIFVSA-N. The full InChI is InChI=1S/C20H23N7S2.C12H17N7O.C12H18N6OS.C10H12Br2N6.C10H12BrClN6.C10H15N7.C8H9NO.2CH4/c21-14-5-6-25(11-14)19-9-18(22)27-20(24-19)17(10-23-27)26(12-15-3-1-7-28-15)13-16-4-2-8-29-16;1-7(20)16-9-5-15-19-10(14)4-11(17-12(9)19)18-3-2-8(13)6-18;13-8-1-2-17(7-8)11-5-10(14)18-12(16-11)9(6-15-18)20-4-3-19;2*11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-6-1-2-16(5-6)9-3-8(13)17-10(15-9)7(12)4-14-17;1-7(10)9-8-5-3-2-4-6-8;;/h1-4,7-10,14H,5-6,11-13,21-22H2;4-5,8H,2-3,6,13-14H2,1H3,(H,16,20);5-6,8,19H,1-4,7,13-14H2;2*3,5H,1-2,4,13-14H2;3-4,6H,1-2,5,11-13H2;2-6H,1H3,(H,9,10);2*1H4/t14-;2*8-;2*5-;6-;;;/m000110.../s1.
What are the key properties of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide?
N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide has a molecular weight of 2103.48 g/mol, XLogP of 7.91, 16 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;N-phenylacetamide is sourced from PubChem (CID 159308094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).