[(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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C32H31F2N7O2 — CID 156829209

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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)c(F)cn1
InChIInChI=1S/C32H31F2N7O2/c1-16-29(38-41-15-20(9-22(33)30(16)41)32(42)40-14-19-6-8-25(40)28(19)35)26-10-18-5-7-24(21-11-27(43-2)36-12-23(21)34)37-31(18)39(26)13-17-3-4-17/h5,7,9-12,15,17,19,25,28H,3-4,6,8,13-14,35H2,1-2H3/t19?,25?,28-/m1/s1
InChIKeyNEMICLZENKIVSE-FTNFKZBYSA-N
MW583.64 g/mol
LogP4.98
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]-4-fluoro-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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829209) has the molecular formula C32H31F2N7O2 and a molecular weight of 583.64 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]-4-fluoro-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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829209
Molecular FormulaC32H31F2N7O2
Molecular Weight583.64 g/mol
Exact Mass583.25
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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)c(F)cn1
InChIInChI=1S/C32H31F2N7O2/c1-16-29(38-41-15-20(9-22(33)30(16)41)32(42)40-14-19-6-8-25(40)28(19)35)26-10-18-5-7-24(21-11-27(43-2)36-12-23(21)34)37-31(18)39(26)13-17-3-4-17/h5,7,9-12,15,17,19,25,28H,3-4,6,8,13-14,35H2,1-2H3/t19?,25?,28-/m1/s1
InChIKeyNEMICLZENKIVSE-FTNFKZBYSA-N
XLogP4.98
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.64
LogP ≤ 54.98
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]-4-fluoro-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]-4-fluoro-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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829209) 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]-4-fluoro-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]-4-fluoro-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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is NEMICLZENKIVSE-FTNFKZBYSA-N. The full InChI is InChI=1S/C32H31F2N7O2/c1-16-29(38-41-15-20(9-22(33)30(16)41)32(42)40-14-19-6-8-25(40)28(19)35)26-10-18-5-7-24(21-11-27(43-2)36-12-23(21)34)37-31(18)39(26)13-17-3-4-17/h5,7,9-12,15,17,19,25,28H,3-4,6,8,13-14,35H2,1-2H3/t19?,25?,28-/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]-4-fluoro-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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 583.64 g/mol, XLogP of 4.98, 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]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).