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

C32H31FN6O2 — CID 156829200

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(O)c(F)c4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C32H31FN6O2/c1-17-25-9-6-22(32(41)38-15-21-5-10-26(38)29(21)34)16-39(25)36-30(17)27-13-20-4-8-24(19-7-11-28(40)23(33)12-19)35-31(20)37(27)14-18-2-3-18/h4,6-9,11-13,16,18,21,26,29,40H,2-3,5,10,14-15,34H2,1H3/t21?,26?,29-/m1/s1
InChIKeyBEYKKJIYABIPQW-GNTVVGMTSA-N
MW550.64 g/mol
LogP5.14
Rot. Bonds5

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829200) has the molecular formula C32H31FN6O2 and a molecular weight of 550.64 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829200
Molecular FormulaC32H31FN6O2
Molecular Weight550.64 g/mol
Exact Mass550.25
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(O)c(F)c4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C32H31FN6O2/c1-17-25-9-6-22(32(41)38-15-21-5-10-26(38)29(21)34)16-39(25)36-30(17)27-13-20-4-8-24(19-7-11-28(40)23(33)12-19)35-31(20)37(27)14-18-2-3-18/h4,6-9,11-13,16,18,21,26,29,40H,2-3,5,10,14-15,34H2,1H3/t21?,26?,29-/m1/s1
InChIKeyBEYKKJIYABIPQW-GNTVVGMTSA-N
XLogP5.14
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.64
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(2-{5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methyl-1H-1,3-benzodiazol-2-yl}-1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl)-2,6-difluorophenol
CID 166493262
US12473304, Example 12
CID 156828750
US12473304, Example 258
CID 156828766
US12473304, Example 44
CID 156828846
US12473304, Example 20
CID 156828866
US12473304, Example 47
CID 156828940
US12473304, Example 260
CID 156828941
US12473304, Example 257
CID 156829007
US12473304, Example 314
CID 156829056
US12473304, Example 278
CID 156829087
US12473304, Example 41
CID 156829130
US12473304, Example 17
CID 156829168

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829200) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc(O)c(F)c4)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is BEYKKJIYABIPQW-GNTVVGMTSA-N. The full InChI is InChI=1S/C32H31FN6O2/c1-17-25-9-6-22(32(41)38-15-21-5-10-26(38)29(21)34)16-39(25)36-30(17)27-13-20-4-8-24(19-7-11-28(40)23(33)12-19)35-31(20)37(27)14-18-2-3-18/h4,6-9,11-13,16,18,21,26,29,40H,2-3,5,10,14-15,34H2,1H3/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-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 550.64 g/mol, XLogP of 5.14, 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-(3-fluoro-4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).