4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide

C33H32FN7O2 — CID 156829070

About 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide

4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide (PubChem CID 156829070) has the molecular formula C33H32FN7O2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide
• PubChem CID: 156829070
• Molecular Formula: C33H32FN7O2
• Molecular Weight: 577.66 g/mol
• Exact Mass: 577.26
• IUPAC Name: 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide
• SMILES: [H]/N=C1\CCCN(C(=O)c2cc(F)c3c(C)c(-c4cc5ccc(-c6ccc(C(N)=O)c(C)c6)nc5n4CC4CC4)nn3c2)C1
• InChI: InChI=1S/C33H32FN7O2/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/h7-10,12-14,16,20,35H,3-6,11,15,17H2,1-2H3,(H2,36,42)/b35-24+
• InChIKey: UHXWYSAMBLOOFS-JWHWKPFMSA-N
• XLogP: 5.54
• TPSA: 122.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.66
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide?

The IUPAC name of 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide (CID 156829070) is 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide.

What is the SMILES notation for 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide?

The canonical SMILES for 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide is [H]/N=C1\CCCN(C(=O)c2cc(F)c3c(C)c(-c4cc5ccc(-c6ccc(C(N)=O)c(C)c6)nc5n4CC4CC4)nn3c2)C1.

What is the InChIKey of 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide?

The InChIKey is UHXWYSAMBLOOFS-JWHWKPFMSA-N. The full InChI is InChI=1S/C33H32FN7O2/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/h7-10,12-14,16,20,35H,3-6,11,15,17H2,1-2H3,(H2,36,42)/b35-24+.

What are the key properties of 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide?

4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide has a molecular weight of 577.66 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclopropylmethyl)-2-[4-fluoro-6-(3-iminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-2-methylbenzamide is sourced from PubChem (CID 156829070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).