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

C73H96N32S5 — CID 157217511

IUPAC5-[(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
SMILESC=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CCCSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C20H23N7S2.C16H18N6S.C13H19N7.C13H20N6S.C11H16N6S/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;17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;1-2-5-20-10-7-16-19-11(15)6-12(17-13(10)19)18-4-3-9(14)8-18;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16/h1-4,7-10,14H,5-6,11-13,21-22H2;1-5,8-9,11H,6-7,10,17-18H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;6-7,9H,2-5,8,14-15H2,1H3;4-5,7H,2-3,6,12-13H2,1H3/t14-;11-;2*9-;7-/m00000/s1
InChIKeyASPBLJHAXYSJSX-NQBANCTESA-N
MW1582.13 g/mol
LogP7.89
Rot. Bonds18

About 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

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 (PubChem CID 157217511) has the molecular formula C73H96N32S5 and a molecular weight of 1582.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID157217511
Molecular FormulaC73H96N32S5
Molecular Weight1582.13 g/mol
Exact Mass1580.71
IUPAC Name5-[(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
SMILESC=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CCCSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C20H23N7S2.C16H18N6S.C13H19N7.C13H20N6S.C11H16N6S/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;17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;1-2-5-20-10-7-16-19-11(15)6-12(17-13(10)19)18-4-3-9(14)8-18;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16/h1-4,7-10,14H,5-6,11-13,21-22H2;1-5,8-9,11H,6-7,10,17-18H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;6-7,9H,2-5,8,14-15H2,1H3;4-5,7H,2-3,6,12-13H2,1H3/t14-;11-;2*9-;7-/m00000/s1
InChIKeyASPBLJHAXYSJSX-NQBANCTESA-N
XLogP7.89
TPSA442.62 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.13
LogP ≤ 57.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Related Compounds

5-[(3S)-3-aminopyrrolidin-1-yl]-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 16225778
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]-3-N-(2,3-dihydrothiophen-5-ylmethyl)-3-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 143440288
5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 143441362
3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145037922
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
(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145248433
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CCCSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(N(Cc3cccs3)Cc3cccs3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of 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?
The InChIKey is ASPBLJHAXYSJSX-NQBANCTESA-N. The full InChI is InChI=1S/C20H23N7S2.C16H18N6S.C13H19N7.C13H20N6S.C11H16N6S/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;17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;1-8(2)17-10-6-16-20-11(15)5-12(18-13(10)20)19-4-3-9(14)7-19;1-2-5-20-10-7-16-19-11(15)6-12(17-13(10)19)18-4-3-9(14)8-18;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16/h1-4,7-10,14H,5-6,11-13,21-22H2;1-5,8-9,11H,6-7,10,17-18H2;5-6,9,17H,1,3-4,7,14-15H2,2H3;6-7,9H,2-5,8,14-15H2,1H3;4-5,7H,2-3,6,12-13H2,1H3/t14-;11-;2*9-;7-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 1582.13 g/mol, XLogP of 7.89, 18 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157217511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).