5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide

C33H33FN8O2 — CID 156829900

IUPAC5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)cn1
InChIInChI=1S/C33H33FN8O2/c1-17-29(39-42-16-22(11-23(34)30(17)42)33(44)41-15-21-7-10-26(41)28(21)35)27-12-19-5-8-24(38-31(19)40(27)14-18-3-4-18)20-6-9-25(37-13-20)32(43)36-2/h5-6,8-9,11-13,16,18,21,26,28H,3-4,7,10,14-15,35H2,1-2H3,(H,36,43)/t21?,26?,28-/m1/s1
InChIKeyASWLGDXYLNMCNX-LAAJAHEYSA-N
MW592.68 g/mol
LogP4.19
Rot. Bonds6

About 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide

5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 156829900) has the molecular formula C33H33FN8O2 and a molecular weight of 592.68 g/mol. Its IUPAC name is 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID156829900
Molecular FormulaC33H33FN8O2
Molecular Weight592.68 g/mol
Exact Mass592.27
IUPAC Name5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)cn1
InChIInChI=1S/C33H33FN8O2/c1-17-29(39-42-16-22(11-23(34)30(17)42)33(44)41-15-21-7-10-26(41)28(21)35)27-12-19-5-8-24(38-31(19)40(27)14-18-3-4-18)20-6-9-25(37-13-20)32(43)36-2/h5-6,8-9,11-13,16,18,21,26,28H,3-4,7,10,14-15,35H2,1-2H3,(H,36,43)/t21?,26?,28-/m1/s1
InChIKeyASWLGDXYLNMCNX-LAAJAHEYSA-N
XLogP4.19
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.68
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide (CID 156829900) is 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)cn1.
What is the InChIKey of 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is ASWLGDXYLNMCNX-LAAJAHEYSA-N. The full InChI is InChI=1S/C33H33FN8O2/c1-17-29(39-42-16-22(11-23(34)30(17)42)33(44)41-15-21-7-10-26(41)28(21)35)27-12-19-5-8-24(38-31(19)40(27)14-18-3-4-18)20-6-9-25(37-13-20)32(43)36-2/h5-6,8-9,11-13,16,18,21,26,28H,3-4,7,10,14-15,35H2,1-2H3,(H,36,43)/t21?,26?,28-/m1/s1.
What are the key properties of 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 592.68 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 156829900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).