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

C73H94BrClN34S2 — CID 157402012

IUPAC5-[(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
SMILESC=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.C=C(Nc1ccccc1)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12
InChIInChI=1S/C20H23N7S2.C18H22N8.C13H19N7.C11H15BrN6.C11H15ClN6/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;1-12(22-14-5-3-2-4-6-14)23-15-10-21-26-16(20)9-17(24-18(15)26)25-8-7-13(19)11-25;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-4,7-10,14H,5-6,11-13,21-22H2;2-6,9-10,13,22-23H,1,7-8,11,19-20H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;2*4,7H,2-3,5,13-14H2,1H3/t14-;13-;9-;2*7-/m00011/s1
InChIKeyBNGZIKRGVVCKKD-DELGCKLMSA-N
MW1627.28 g/mol
LogP7.55
Rot. Bonds16

About 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

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 (PubChem CID 157402012) has the molecular formula C73H94BrClN34S2 and a molecular weight of 1627.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID157402012
Molecular FormulaC73H94BrClN34S2
Molecular Weight1627.28 g/mol
Exact Mass1624.67
IUPAC Name5-[(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
SMILESC=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.C=C(Nc1ccccc1)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12
InChIInChI=1S/C20H23N7S2.C18H22N8.C13H19N7.C11H15BrN6.C11H15ClN6/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;1-12(22-14-5-3-2-4-6-14)23-15-10-21-26-16(20)9-17(24-18(15)26)25-8-7-13(19)11-25;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-4,7-10,14H,5-6,11-13,21-22H2;2-6,9-10,13,22-23H,1,7-8,11,19-20H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;2*4,7H,2-3,5,13-14H2,1H3/t14-;13-;9-;2*7-/m00011/s1
InChIKeyBNGZIKRGVVCKKD-DELGCKLMSA-N
XLogP7.55
TPSA466.68 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.28
LogP ≤ 57.55
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Analyze 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 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

5-[(3S)-3-aminopyrrolidin-1-yl]-3-N-[[2-[[5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydrothiophen-5-yl]methyl]-3-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 70951478
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157063960
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
6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 157455036
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 157554323
6-Bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(4-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157710566
4-bromo-3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 158216791
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158595242
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158663653
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
3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158935661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.C=C(Nc1ccccc1)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.
What is the InChIKey of 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?
The InChIKey is BNGZIKRGVVCKKD-DELGCKLMSA-N. The full InChI is InChI=1S/C20H23N7S2.C18H22N8.C13H19N7.C11H15BrN6.C11H15ClN6/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;1-12(22-14-5-3-2-4-6-14)23-15-10-21-26-16(20)9-17(24-18(15)26)25-8-7-13(19)11-25;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1-4,7-10,14H,5-6,11-13,21-22H2;2-6,9-10,13,22-23H,1,7-8,11,19-20H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;2*4,7H,2-3,5,13-14H2,1H3/t14-;13-;9-;2*7-/m00011/s1.
What are the key properties of 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?
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 has a molecular weight of 1627.28 g/mol, XLogP of 7.55, 16 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157402012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).