8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C98H108Cl3N43O6S — CID 160648868

About 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 160648868) has the molecular formula C98H108Cl3N43O6S and a molecular weight of 2122.66 g/mol. Its IUPAC name is 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
• PubChem CID: 160648868
• Molecular Formula: C98H108Cl3N43O6S
• Molecular Weight: 2122.66 g/mol
• Exact Mass: 2119.83
• IUPAC Name: 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
• SMILES: CCN(Cc1ccccc1)c1cc(N)n2nccc2n1.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c([N+](=O)[O-])cnn12.Nc1cc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc2ccnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.Nc1cc(NCc2cccs2)nc2ccnn12.Nc1cc(N[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.Nc1cc(N[C@H]2CCNC2)nc2c([N+](=O)[O-])cnn12
• InChI: InChI=1S/C19H21N7O.C17H18N6O.C16H16Cl2N6.C15H17N5.C11H11N5S.C10H12ClN7O2.C10H13N7O2/c20-15-12-17(23-16-6-9-22-26(15)16)24-10-7-19(8-11-24)18(27)21-13-25(19)14-4-2-1-3-5-14;18-14-8-15(21-12-6-7-19-9-12)22-17-13(10-20-23(14)17)16(24)11-4-2-1-3-5-11;17-12-2-1-11(9-13(12)18)22-5-7-23(8-6-22)16-10-14(19)24-15(21-16)3-4-20-24;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;12-9-6-10(13-7-8-2-1-5-17-8)15-11-3-4-14-16(9)11;11-7-8(13)17-9(6(3-14-17)18(19)20)15-10(7)16-2-1-5(12)4-16;11-8-3-9(14-6-1-2-12-4-6)15-10-7(17(18)19)5-13-16(8)10/h1-6,9,12H,7-8,10-11,13,20H2,(H,21,27);1-5,8,10,12,19H,6-7,9,18H2,(H,21,22);1-4,9-10H,5-8,19H2;3-10H,2,11,16H2,1H3;1-6H,7,12H2,(H,13,15);3,5H,1-2,4,12-13H2;3,5-6,12H,1-2,4,11H2,(H,14,15)/t;12-;;;;5-;6-/m.0...00/s1
• InChIKey: RKDPJIGXGFQIIP-YXSJGVNSSA-N
• XLogP: 10.23
• TPSA: 631.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Rotatable Bonds: 20
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.66
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The IUPAC name of 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 160648868) is 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

What is the SMILES notation for 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The canonical SMILES for 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CCN(Cc1ccccc1)c1cc(N)n2nccc2n1.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c([N+](=O)[O-])cnn12.Nc1cc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc2ccnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.Nc1cc(NCc2cccs2)nc2ccnn12.Nc1cc(N[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.Nc1cc(N[C@H]2CCNC2)nc2c([N+](=O)[O-])cnn12.

What is the InChIKey of 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The InChIKey is RKDPJIGXGFQIIP-YXSJGVNSSA-N. The full InChI is InChI=1S/C19H21N7O.C17H18N6O.C16H16Cl2N6.C15H17N5.C11H11N5S.C10H12ClN7O2.C10H13N7O2/c20-15-12-17(23-16-6-9-22-26(15)16)24-10-7-19(8-11-24)18(27)21-13-25(19)14-4-2-1-3-5-14;18-14-8-15(21-12-6-7-19-9-12)22-17-13(10-20-23(14)17)16(24)11-4-2-1-3-5-11;17-12-2-1-11(9-13(12)18)22-5-7-23(8-6-22)16-10-14(19)24-15(21-16)3-4-20-24;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;12-9-6-10(13-7-8-2-1-5-17-8)15-11-3-4-14-16(9)11;11-7-8(13)17-9(6(3-14-17)18(19)20)15-10(7)16-2-1-5(12)4-16;11-8-3-9(14-6-1-2-12-4-6)15-10-7(17(18)19)5-13-16(8)10/h1-6,9,12H,7-8,10-11,13,20H2,(H,21,27);1-5,8,10,12,19H,6-7,9,18H2,(H,21,22);1-4,9-10H,5-8,19H2;3-10H,2,11,16H2,1H3;1-6H,7,12H2,(H,13,15);3,5H,1-2,4,12-13H2;3,5-6,12H,1-2,4,11H2,(H,14,15)/t;12-;;;;5-;6-/m.0...00/s1.

What are the key properties of 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?

8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 2122.66 g/mol, XLogP of 10.23, 20 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;[7-amino-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-nitro-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 160648868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).