N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C55H63N13O6 — CID 159111004

About N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 159111004) has the molecular formula C55H63N13O6 and a molecular weight of 1002.19 g/mol. Its IUPAC name is N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• PubChem CID: 159111004
• Molecular Formula: C55H63N13O6
• Molecular Weight: 1002.19 g/mol
• Exact Mass: 1001.50
• IUPAC Name: N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• SMILES: O=C(N[C@@H]1CC=C(c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC=C(c2ccncc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C28H32N6O3.C27H31N7O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37;35-25-22(6-5-20(19-7-12-28-13-8-19)17-33(25)16-18-3-4-18)30-26(36)32-14-9-21(10-15-32)34-23-2-1-11-29-24(23)31-27(34)37/h1-7,10,14,19,22-23H,8-9,11-13,15-18H2,(H,30,36)(H,29,31,37);1-2,5,7-8,11-13,18,21-22H,3-4,6,9-10,14-17H2,(H,30,36)(H,29,31,37)/t23-;22-/m11/s1
• InChIKey: KEMIUFSTKJBOGJ-CMXTYHTGSA-N
• XLogP: 5.73
• TPSA: 219.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.19
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 159111004) is N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is O=C(N[C@@H]1CC=C(c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C(N[C@@H]1CC=C(c2ccncc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The InChIKey is KEMIUFSTKJBOGJ-CMXTYHTGSA-N. The full InChI is InChI=1S/C28H32N6O3.C27H31N7O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37;35-25-22(6-5-20(19-7-12-28-13-8-19)17-33(25)16-18-3-4-18)30-26(36)32-14-9-21(10-15-32)34-23-2-1-11-29-24(23)31-27(34)37/h1-7,10,14,19,22-23H,8-9,11-13,15-18H2,(H,30,36)(H,29,31,37);1-2,5,7-8,11-13,18,21-22H,3-4,6,9-10,14-17H2,(H,30,36)(H,29,31,37)/t23-;22-/m11/s1.

What are the key properties of N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 1002.19 g/mol, XLogP of 5.73, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 159111004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).