deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

C53H64Cl2F10IN11O5 — CID 157276704

About deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (PubChem CID 157276704) has the molecular formula C53H64Cl2F10IN11O5 and a molecular weight of 1323.96 g/mol. Its IUPAC name is deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
• PubChem CID: 157276704
• Molecular Formula: C53H64Cl2F10IN11O5
• Molecular Weight: 1323.96 g/mol
• Exact Mass: 1322.34
• IUPAC Name: deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
• SMILES: C[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O.Cl.Cl.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C1NC2=NC=CCC2N1C1CCNCC1.[2H]CI
• InChI: InChI=1S/C26H27F5N6O3.C15H16F5NO.C11H16N4O.CH3I.2ClH/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-9-5-6-10(11-3-2-4-12(16)13(11)17)7-21(14(9)22)8-15(18,19)20;16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;1-2;;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);2-4,9-10H,5-8H2,1H3;1,5,8-9,12H,2-4,6-7H2,(H,13,14,16);1H3;2*1H/t15-,19-;9-,10-;;;;/m11..../s1/i;;;1D
• InChIKey: JUZAAZCZZONTPK-STTDAYFRSA-N
• XLogP: 9.90
• TPSA: 180.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.96
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?

The IUPAC name of deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (CID 157276704) is deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.

What is the SMILES notation for deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?

The canonical SMILES for deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is C[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O.Cl.Cl.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.O=C1NC2=NC=CCC2N1C1CCNCC1.[2H]CI.

What is the InChIKey of deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?

The InChIKey is JUZAAZCZZONTPK-STTDAYFRSA-N. The full InChI is InChI=1S/C26H27F5N6O3.C15H16F5NO.C11H16N4O.CH3I.2ClH/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-9-5-6-10(11-3-2-4-12(16)13(11)17)7-21(14(9)22)8-15(18,19)20;16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;1-2;;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);2-4,9-10H,5-8H2,1H3;1,5,8-9,12H,2-4,6-7H2,(H,13,14,16);1H3;2*1H/t15-,19-;9-,10-;;;;/m11..../s1/i;;;1D;;.

What are the key properties of deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?

deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride has a molecular weight of 1323.96 g/mol, XLogP of 9.90, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(iodo)methane;(3R,6S)-6-(2,3-difluorophenyl)-3-methyl-1-(2,2,2-trifluoroethyl)azepan-2-one;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;1-piperidin-4-yl-7,7a-dihydro-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 157276704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).