8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C90H99Cl2N37O3S — CID 158757887

IUPAC8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(N2CCC(N3C(=O)Cc4ccccc43)CC2)nc2ccnn12.Nc1cc(N2CCC(Oc3ncccn3)CC2)nc2ccnn12.Nc1cc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc2ccnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.Nc1cc(N2CC[C@H](N)C2)nc2ccnn12.Nc1cc(NCc2cccs2)nc2ccnn12
InChIInChI=1S/C19H21N7O.C19H20N6O.C16H16Cl2N6.C15H17N7O.C11H11N5S.C10H14N6/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;20-16-12-18(22-17-5-8-21-25(16)17)23-9-6-14(7-10-23)24-15-4-2-1-3-13(15)11-19(24)26;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;16-12-10-14(20-13-2-7-19-22(12)13)21-8-3-11(4-9-21)23-15-17-5-1-6-18-15;12-9-6-10(13-7-8-2-1-5-17-8)15-11-3-4-14-16(9)11;11-7-2-4-15(6-7)10-5-8(12)16-9(14-10)1-3-13-16/h1-6,9,12H,7-8,10-11,13,20H2,(H,21,27);1-5,8,12,14H,6-7,9-11,20H2;1-4,9-10H,5-8,19H2;1-2,5-7,10-11H,3-4,8-9,16H2;1-6H,7,12H2,(H,13,15);1,3,5,7H,2,4,6,11-12H2/t;;;;;7-/m.....0/s1
InChIKeyIOHKITXFFVZYLR-XXLVUOBSSA-N
MW1850.01 g/mol
LogP9.04
Rot. Bonds13

About 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 158757887) has the molecular formula C90H99Cl2N37O3S and a molecular weight of 1850.01 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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID158757887
Molecular FormulaC90H99Cl2N37O3S
Molecular Weight1850.01 g/mol
Exact Mass1847.78
IUPAC Name8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(N2CCC(N3C(=O)Cc4ccccc43)CC2)nc2ccnn12.Nc1cc(N2CCC(Oc3ncccn3)CC2)nc2ccnn12.Nc1cc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc2ccnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.Nc1cc(N2CC[C@H](N)C2)nc2ccnn12.Nc1cc(NCc2cccs2)nc2ccnn12
InChIInChI=1S/C19H21N7O.C19H20N6O.C16H16Cl2N6.C15H17N7O.C11H11N5S.C10H14N6/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;20-16-12-18(22-17-5-8-21-25(16)17)23-9-6-14(7-10-23)24-15-4-2-1-3-13(15)11-19(24)26;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;16-12-10-14(20-13-2-7-19-22(12)13)21-8-3-11(4-9-21)23-15-17-5-1-6-18-15;12-9-6-10(13-7-8-2-1-5-17-8)15-11-3-4-14-16(9)11;11-7-2-4-15(6-7)10-5-8(12)16-9(14-10)1-3-13-16/h1-6,9,12H,7-8,10-11,13,20H2,(H,21,27);1-5,8,12,14H,6-7,9-11,20H2;1-4,9-10H,5-8,19H2;1-2,5-7,10-11H,3-4,8-9,16H2;1-6H,7,12H2,(H,13,15);1,3,5,7H,2,4,6,11-12H2/t;;;;;7-/m.....0/s1
InChIKeyIOHKITXFFVZYLR-XXLVUOBSSA-N
XLogP9.04
TPSA482.41 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.01
LogP ≤ 59.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

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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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 158757887) is 8-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is Nc1cc(N2CCC(N3C(=O)Cc4ccccc43)CC2)nc2ccnn12.Nc1cc(N2CCC(Oc3ncccn3)CC2)nc2ccnn12.Nc1cc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc2ccnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.Nc1cc(N2CC[C@H](N)C2)nc2ccnn12.Nc1cc(NCc2cccs2)nc2ccnn12.
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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is IOHKITXFFVZYLR-XXLVUOBSSA-N. The full InChI is InChI=1S/C19H21N7O.C19H20N6O.C16H16Cl2N6.C15H17N7O.C11H11N5S.C10H14N6/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;20-16-12-18(22-17-5-8-21-25(16)17)23-9-6-14(7-10-23)24-15-4-2-1-3-13(15)11-19(24)26;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;16-12-10-14(20-13-2-7-19-22(12)13)21-8-3-11(4-9-21)23-15-17-5-1-6-18-15;12-9-6-10(13-7-8-2-1-5-17-8)15-11-3-4-14-16(9)11;11-7-2-4-15(6-7)10-5-8(12)16-9(14-10)1-3-13-16/h1-6,9,12H,7-8,10-11,13,20H2,(H,21,27);1-5,8,12,14H,6-7,9-11,20H2;1-4,9-10H,5-8,19H2;1-2,5-7,10-11H,3-4,8-9,16H2;1-6H,7,12H2,(H,13,15);1,3,5,7H,2,4,6,11-12H2/t;;;;;7-/m.....0/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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 1850.01 g/mol, XLogP of 9.04, 13 rotatable bonds, 9 hydrogen bond donors, and 39 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;1-[1-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]-3H-indol-2-one;5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 158757887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).