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

C31H35FN6O2 — CID 156829489

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(C(C)(O)C4CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C31H35FN6O2/c1-16-27(35-38-15-20(11-22(32)28(16)38)30(39)37-14-19-5-9-23(37)26(19)33)24-12-18-6-10-25(31(2,40)21-7-8-21)34-29(18)36(24)13-17-3-4-17/h6,10-12,15,17,19,21,23,26,40H,3-5,7-9,13-14,33H2,1-2H3/t19?,23?,26-,31?/m1/s1
InChIKeyYWENUXBYJSJDLD-WVMUPECGSA-N
MW542.66 g/mol
LogP4.39
Rot. Bonds6

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829489) has the molecular formula C31H35FN6O2 and a molecular weight of 542.66 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829489
Molecular FormulaC31H35FN6O2
Molecular Weight542.66 g/mol
Exact Mass542.28
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(C(C)(O)C4CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C31H35FN6O2/c1-16-27(35-38-15-20(11-22(32)28(16)38)30(39)37-14-19-5-9-23(37)26(19)33)24-12-18-6-10-25(31(2,40)21-7-8-21)34-29(18)36(24)13-17-3-4-17/h6,10-12,15,17,19,21,23,26,40H,3-5,7-9,13-14,33H2,1-2H3/t19?,23?,26-,31?/m1/s1
InChIKeyYWENUXBYJSJDLD-WVMUPECGSA-N
XLogP4.39
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.66
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829489) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(C(C)(O)C4CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is YWENUXBYJSJDLD-WVMUPECGSA-N. The full InChI is InChI=1S/C31H35FN6O2/c1-16-27(35-38-15-20(11-22(32)28(16)38)30(39)37-14-19-5-9-23(37)26(19)33)24-12-18-6-10-25(31(2,40)21-7-8-21)34-29(18)36(24)13-17-3-4-17/h6,10-12,15,17,19,21,23,26,40H,3-5,7-9,13-14,33H2,1-2H3/t19?,23?,26-,31?/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 542.66 g/mol, XLogP of 4.39, 6 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-[6-(1-cyclopropyl-1-hydroxyethyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).