[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C32H32FN7O2 — CID 156829440

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3n2)c(F)cn1
InChIInChI=1S/C32H32FN7O2/c1-17-25-9-7-21(32(41)39-15-20-6-10-26(39)29(20)34)16-40(25)37-30(17)27-11-19-5-8-24(22-12-28(42-2)35-13-23(22)33)36-31(19)38(27)14-18-3-4-18/h5,7-9,11-13,16,18,20,26,29H,3-4,6,10,14-15,34H2,1-2H3/t20?,26?,29-/m1/s1
InChIKeyDTDYGMKTBBBGHM-CCWBKVMBSA-N
MW565.65 g/mol
LogP4.84
Rot. Bonds6

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829440) has the molecular formula C32H32FN7O2 and a molecular weight of 565.65 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829440
Molecular FormulaC32H32FN7O2
Molecular Weight565.65 g/mol
Exact Mass565.26
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3n2)c(F)cn1
InChIInChI=1S/C32H32FN7O2/c1-17-25-9-7-21(32(41)39-15-20-6-10-26(39)29(20)34)16-40(25)37-30(17)27-11-19-5-8-24(22-12-28(42-2)35-13-23(22)33)36-31(19)38(27)14-18-3-4-18/h5,7-9,11-13,16,18,20,26,29H,3-4,6,10,14-15,34H2,1-2H3/t20?,26?,29-/m1/s1
InChIKeyDTDYGMKTBBBGHM-CCWBKVMBSA-N
XLogP4.84
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.65
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829440) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)ccc5c4C)n(CC4CC4)c3n2)c(F)cn1.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is DTDYGMKTBBBGHM-CCWBKVMBSA-N. The full InChI is InChI=1S/C32H32FN7O2/c1-17-25-9-7-21(32(41)39-15-20-6-10-26(39)29(20)34)16-40(25)37-30(17)27-11-19-5-8-24(22-12-28(42-2)35-13-23(22)33)36-31(19)38(27)14-18-3-4-18/h5,7-9,11-13,16,18,20,26,29H,3-4,6,10,14-15,34H2,1-2H3/t20?,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-(5-fluoro-2-methoxy-4-pyridinyl)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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 565.65 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).