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

C32H33FN8O2 — CID 156829334

IUPAC5-[2-[6-[(3R)-3-aminopiperidine-1-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)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)cn1
InChIInChI=1S/C32H33FN8O2/c1-18-28(38-41-16-22(12-24(33)29(18)41)32(43)39-11-3-4-23(34)17-39)27-13-20-7-9-25(37-30(20)40(27)15-19-5-6-19)21-8-10-26(36-14-21)31(42)35-2/h7-10,12-14,16,19,23H,3-6,11,15,17,34H2,1-2H3,(H,35,42)/t23-/m1/s1
InChIKeyWMUWJXHTFVVKCD-HSZRJFAPSA-N
MW580.67 g/mol
LogP4.19
Rot. Bonds6

About 5-[2-[6-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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 156829334) has the molecular formula C32H33FN8O2 and a molecular weight of 580.67 g/mol. Its IUPAC name is 5-[2-[6-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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 CID156829334
Molecular FormulaC32H33FN8O2
Molecular Weight580.67 g/mol
Exact Mass580.27
IUPAC Name5-[2-[6-[(3R)-3-aminopiperidine-1-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)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)cn1
InChIInChI=1S/C32H33FN8O2/c1-18-28(38-41-16-22(12-24(33)29(18)41)32(43)39-11-3-4-23(34)17-39)27-13-20-7-9-25(37-30(20)40(27)15-19-5-6-19)21-8-10-26(36-14-21)31(42)35-2/h7-10,12-14,16,19,23H,3-6,11,15,17,34H2,1-2H3,(H,35,42)/t23-/m1/s1
InChIKeyWMUWJXHTFVVKCD-HSZRJFAPSA-N
XLogP4.19
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.67
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[6-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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 156829334) is 5-[2-[6-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)cn1.
What is the InChIKey of 5-[2-[6-[(3R)-3-aminopiperidine-1-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 WMUWJXHTFVVKCD-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H33FN8O2/c1-18-28(38-41-16-22(12-24(33)29(18)41)32(43)39-11-3-4-23(34)17-39)27-13-20-7-9-25(37-30(20)40(27)15-19-5-6-19)21-8-10-26(36-14-21)31(42)35-2/h7-10,12-14,16,19,23H,3-6,11,15,17,34H2,1-2H3,(H,35,42)/t23-/m1/s1.
What are the key properties of 5-[2-[6-[(3R)-3-aminopiperidine-1-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-[(3R)-3-aminopiperidine-1-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 580.67 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-[(3R)-3-aminopiperidine-1-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 156829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).