4-[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]-2-methylbenzamide

C33H34FN7O2 — CID 156828769

IUPAC4-[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]-2-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)ccc1C(N)=O
InChIInChI=1S/C33H34FN7O2/c1-18-12-21(7-9-25(18)31(36)42)27-10-8-22-14-28(40(32(22)37-27)15-20-5-6-20)29-19(2)30-26(34)13-23(16-41(30)38-29)33(43)39-11-3-4-24(35)17-39/h7-10,12-14,16,20,24H,3-6,11,15,17,35H2,1-2H3,(H2,36,42)/t24-/m1/s1
InChIKeyPDWKFQUZVYNJOS-XMMPIXPASA-N
MW579.68 g/mol
LogP4.85
Rot. Bonds6

About 4-[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]-2-methylbenzamide

4-[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]-2-methylbenzamide (PubChem CID 156828769) has the molecular formula C33H34FN7O2 and a molecular weight of 579.68 g/mol. Its IUPAC name is 4-[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]-2-methylbenzamide.

Molecular Properties

Compound Name4-[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]-2-methylbenzamide
PubChem CID156828769
Molecular FormulaC33H34FN7O2
Molecular Weight579.68 g/mol
Exact Mass579.28
IUPAC Name4-[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]-2-methylbenzamide
SMILESCc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)ccc1C(N)=O
InChIInChI=1S/C33H34FN7O2/c1-18-12-21(7-9-25(18)31(36)42)27-10-8-22-14-28(40(32(22)37-27)15-20-5-6-20)29-19(2)30-26(34)13-23(16-41(30)38-29)33(43)39-11-3-4-24(35)17-39/h7-10,12-14,16,20,24H,3-6,11,15,17,35H2,1-2H3,(H2,36,42)/t24-/m1/s1
InChIKeyPDWKFQUZVYNJOS-XMMPIXPASA-N
XLogP4.85
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.68
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[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]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[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]-2-methylbenzamide?
The IUPAC name of 4-[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]-2-methylbenzamide (CID 156828769) is 4-[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]-2-methylbenzamide.
What is the SMILES notation for 4-[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]-2-methylbenzamide?
The canonical SMILES for 4-[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]-2-methylbenzamide is Cc1cc(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c3n2)ccc1C(N)=O.
What is the InChIKey of 4-[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]-2-methylbenzamide?
The InChIKey is PDWKFQUZVYNJOS-XMMPIXPASA-N. The full InChI is InChI=1S/C33H34FN7O2/c1-18-12-21(7-9-25(18)31(36)42)27-10-8-22-14-28(40(32(22)37-27)15-20-5-6-20)29-19(2)30-26(34)13-23(16-41(30)38-29)33(43)39-11-3-4-24(35)17-39/h7-10,12-14,16,20,24H,3-6,11,15,17,35H2,1-2H3,(H2,36,42)/t24-/m1/s1.
What are the key properties of 4-[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]-2-methylbenzamide?
4-[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]-2-methylbenzamide has a molecular weight of 579.68 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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]-2-methylbenzamide is sourced from PubChem (CID 156828769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).