6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide

C32H32F2N6O2 — CID 175664523

About 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide

6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide (PubChem CID 175664523) has the molecular formula C32H32F2N6O2 and a molecular weight of 570.64 g/mol. Its IUPAC name is 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide
• PubChem CID: 175664523
• Molecular Formula: C32H32F2N6O2
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.26
• IUPAC Name: 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide
• SMILES: C[C@H]1CCCN(Cc2cc3c(C#N)cn(-c4cc(-c5ccc(F)c(F)c5C(=O)N(C)C)cc(C5CC5)n4)c(=O)c3[nH]2)C1
• InChI: InChI=1S/C32H32F2N6O2/c1-18-5-4-10-39(15-18)17-22-13-24-21(14-35)16-40(32(42)30(24)36-22)27-12-20(11-26(37-27)19-6-7-19)23-8-9-25(33)29(34)28(23)31(41)38(2)3/h8-9,11-13,16,18-19,36H,4-7,10,15,17H2,1-3H3/t18-/m0/s1
• InChIKey: RQUIFABMUUDUEF-SFHVURJKSA-N
• XLogP: 5.34
• TPSA: 98.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide?

The IUPAC name of 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide (CID 175664523) is 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide.

What is the SMILES notation for 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide?

The canonical SMILES for 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide is C[C@H]1CCCN(Cc2cc3c(C#N)cn(-c4cc(-c5ccc(F)c(F)c5C(=O)N(C)C)cc(C5CC5)n4)c(=O)c3[nH]2)C1.

What is the InChIKey of 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide?

The InChIKey is RQUIFABMUUDUEF-SFHVURJKSA-N. The full InChI is InChI=1S/C32H32F2N6O2/c1-18-5-4-10-39(15-18)17-22-13-24-21(14-35)16-40(32(42)30(24)36-22)27-12-20(11-26(37-27)19-6-7-19)23-8-9-25(33)29(34)28(23)31(41)38(2)3/h8-9,11-13,16,18-19,36H,4-7,10,15,17H2,1-3H3/t18-/m0/s1.

What are the key properties of 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide?

6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide has a molecular weight of 570.64 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 175664523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).