[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C₃₃H₃₁FN₈O — CID 156829011

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829011) has the molecular formula C₃₃H₃₁FN₈O and a molecular weight of 574.66 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• PubChem CID: 156829011
• Molecular Formula: C₃₃H₃₁FN₈O
• Molecular Weight: 574.66 g/mol
• Exact Mass: 574.26
• IUPAC Name: [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• SMILES: Cc1c(-c2cc3ccc(-c4ccc5cn[nH]c5c4F)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
• InChI: InChI=1S/C33H31FN8O/c1-17-25-10-7-22(33(43)41-15-21-6-11-26(41)29(21)35)16-42(25)39-30(17)27-12-19-5-9-24(37-32(19)40(27)14-18-2-3-18)23-8-4-20-13-36-38-31(20)28(23)34/h4-5,7-10,12-13,16,18,21,26,29H,2-3,6,11,14-15,35H2,1H3,(H,36,38)/t21?,26?,29-/m1/s1
• InChIKey: DUBAYMPAYPRMSJ-GNTVVGMTSA-N
• XLogP: 5.31
• TPSA: 110.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.66
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829011) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc5cn[nH]c5c4F)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12.

What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The InChIKey is DUBAYMPAYPRMSJ-GNTVVGMTSA-N. The full InChI is InChI=1S/C33H31FN8O/c1-17-25-10-7-22(33(43)41-15-21-6-11-26(41)29(21)35)16-42(25)39-30(17)27-12-19-5-9-24(37-32(19)40(27)14-18-2-3-18)23-8-4-20-13-36-38-31(20)28(23)34/h4-5,7-10,12-13,16,18,21,26,29H,2-3,6,11,14-15,35H2,1H3,(H,36,38)/t21?,26?,29-/m1/s1.

What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 574.66 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(7-fluoro-1H-indazol-6-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156829011 — identifiers, structure, computed properties (public domain)

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