N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

C29H34N8O2 — CID 154633371

About N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (PubChem CID 154633371) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

Molecular Properties

• Compound Name: N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
• PubChem CID: 154633371
• Molecular Formula: C29H34N8O2
• Molecular Weight: 526.65 g/mol
• Exact Mass: 526.28
• IUPAC Name: N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
• SMILES: N#CCC(=O)N1CCC(N2CC(CC#N)(N3CC=C(c4cc(N(C=O)C5CC5)nc5[nH]ccc45)CC3)C2)CC1
• InChI: InChI=1S/C29H34N8O2/c30-10-3-27(39)34-13-7-22(8-14-34)35-18-29(19-35,9-11-31)36-15-5-21(6-16-36)25-17-26(37(20-38)23-1-2-23)33-28-24(25)4-12-32-28/h4-5,12,17,20,22-23H,1-3,6-9,13-16,18-19H2,(H,32,33)
• InChIKey: IOPKGTOZQVEKNB-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 123.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The IUPAC name of N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (CID 154633371) is N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

What is the SMILES notation for N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The canonical SMILES for N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is N#CCC(=O)N1CCC(N2CC(CC#N)(N3CC=C(c4cc(N(C=O)C5CC5)nc5[nH]ccc45)CC3)C2)CC1.

What is the InChIKey of N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The InChIKey is IOPKGTOZQVEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c30-10-3-27(39)34-13-7-22(8-14-34)35-18-29(19-35,9-11-31)36-15-5-21(6-16-36)25-17-26(37(20-38)23-1-2-23)33-28-24(25)4-12-32-28/h4-5,12,17,20,22-23H,1-3,6-9,13-16,18-19H2,(H,32,33).

What are the key properties of N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide has a molecular weight of 526.65 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[1-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(cyanomethyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is sourced from PubChem (CID 154633371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).