N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide

C35H41N7O2 — CID 70964851

About N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide

N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide (PubChem CID 70964851) has the molecular formula C35H41N7O2 and a molecular weight of 591.76 g/mol. Its IUPAC name is N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide
• PubChem CID: 70964851
• Molecular Formula: C35H41N7O2
• Molecular Weight: 591.76 g/mol
• Exact Mass: 591.33
• IUPAC Name: N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide
• SMILES: CCn1cc(-c2ccnc3c2CC(c2ccc(CN4CCOCC4)cc2)N3)c(-c2ccc(NC(=O)N3CCCCC3)cc2)n1
• InChI: InChI=1S/C35H41N7O2/c1-2-42-24-31(33(39-42)27-10-12-28(13-11-27)37-35(43)41-16-4-3-5-17-41)29-14-15-36-34-30(29)22-32(38-34)26-8-6-25(7-9-26)23-40-18-20-44-21-19-40/h6-15,24,32H,2-5,16-23H2,1H3,(H,36,38)(H,37,43)
• InChIKey: NMRCUVVJXXTZLA-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.76
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide?

The IUPAC name of N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide (CID 70964851) is N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide?

The canonical SMILES for N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide is CCn1cc(-c2ccnc3c2CC(c2ccc(CN4CCOCC4)cc2)N3)c(-c2ccc(NC(=O)N3CCCCC3)cc2)n1.

What is the InChIKey of N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide?

The InChIKey is NMRCUVVJXXTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O2/c1-2-42-24-31(33(39-42)27-10-12-28(13-11-27)37-35(43)41-16-4-3-5-17-41)29-14-15-36-34-30(29)22-32(38-34)26-8-6-25(7-9-26)23-40-18-20-44-21-19-40/h6-15,24,32H,2-5,16-23H2,1H3,(H,36,38)(H,37,43).

What are the key properties of N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide?

N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 591.76 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 70964851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).