(6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C82H98BrN35O6 — CID 161253405

About (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

(6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161253405) has the molecular formula C82H98BrN35O6 and a molecular weight of 1749.83 g/mol. Its IUPAC name is (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161253405
• Molecular Formula: C82H98BrN35O6
• Molecular Weight: 1749.83 g/mol
• Exact Mass: 1747.76
• IUPAC Name: (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc(NC2CCNCC2)n2ncc(-c3ccncc3)c2n1.Cn1cc(-c2cnn3c(N)c(Br)c(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CNCCC45OCCO5)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(N)=O)NC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@H]5COC(=O)N5C4)nc23)cn1
• InChI: InChI=1S/C17H19N7O2.C17H21N7O2.C17H20N6.C16H20N8O.C15H18BrN7O/c1-22-7-11(5-19-22)13-6-20-24-15(18)4-14(21-16(13)24)10-2-3-12-9-26-17(25)23(12)8-10;1-23-10-11(7-20-23)12-8-21-24-15(18)6-14(22-16(12)24)13-9-19-3-2-17(13)25-4-5-26-17;1-12-10-16(22-14-4-8-19-9-5-14)23-17(21-12)15(11-20-23)13-2-6-18-7-3-13;1-23-8-10(6-20-23)11-7-21-24-14(17)4-13(22-16(11)24)9-2-3-12(15(18)25)19-5-9;1-22-8-9(5-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-10-6-18-2-3-24-10/h4-7,10,12H,2-3,8-9,18H2,1H3;6-8,10,13,19H,2-5,9,18H2,1H3;2-3,6-7,10-11,14,19,22H,4-5,8-9H2,1H3;4,6-9,12,19H,2-3,5,17H2,1H3,(H2,18,25);5,7-8,10,18H,2-4,6,17H2,1H3/t10-,12-;;;9-,12-;/m0..0./s1
• InChIKey: VBOOHOBOCXYEML-LWTWZAQXSA-N
• XLogP: 5.24
• TPSA: 499.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.83
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 161253405) is (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCNCC2)n2ncc(-c3ccncc3)c2n1.Cn1cc(-c2cnn3c(N)c(Br)c(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CNCCC45OCCO5)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(N)=O)NC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@H]5COC(=O)N5C4)nc23)cn1.

What is the InChIKey of (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is VBOOHOBOCXYEML-LWTWZAQXSA-N. The full InChI is InChI=1S/C17H19N7O2.C17H21N7O2.C17H20N6.C16H20N8O.C15H18BrN7O/c1-22-7-11(5-19-22)13-6-20-24-15(18)4-14(21-16(13)24)10-2-3-12-9-26-17(25)23(12)8-10;1-23-10-11(7-20-23)12-8-21-24-15(18)6-14(22-16(12)24)13-9-19-3-2-17(13)25-4-5-26-17;1-12-10-16(22-14-4-8-19-9-5-14)23-17(21-12)15(11-20-23)13-2-6-18-7-3-13;1-23-8-10(6-20-23)11-7-21-24-14(17)4-13(22-16(11)24)9-2-3-12(15(18)25)19-5-9;1-22-8-9(5-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-10-6-18-2-3-24-10/h4-7,10,12H,2-3,8-9,18H2,1H3;6-8,10,13,19H,2-5,9,18H2,1H3;2-3,6-7,10-11,14,19,22H,4-5,8-9H2,1H3;4,6-9,12,19H,2-3,5,17H2,1H3,(H2,18,25);5,7-8,10,18H,2-4,6,17H2,1H3/t10-,12-;;;9-,12-;/m0..0./s1.

What are the key properties of (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

(6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1749.83 g/mol, XLogP of 5.24, 13 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8aS)-6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161253405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).