4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one

C25H27ClN4O4 — CID 45160705

IUPAC4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
SMILESCOc1cccc(CN2CC(OCC3CC3)CN(C(=O)c3cn4cc(Cl)ccc4n3)CC2=O)c1
InChIInChI=1S/C25H27ClN4O4/c1-33-20-4-2-3-18(9-20)10-29-12-21(34-16-17-5-6-17)13-30(15-24(29)31)25(32)22-14-28-11-19(26)7-8-23(28)27-22/h2-4,7-9,11,14,17,21H,5-6,10,12-13,15-16H2,1H3
InChIKeyUXMVKCBTUWLWNU-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.28
Rot. Bonds7

About 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one

4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one (PubChem CID 45160705) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
PubChem CID45160705
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
SMILESCOc1cccc(CN2CC(OCC3CC3)CN(C(=O)c3cn4cc(Cl)ccc4n3)CC2=O)c1
InChIInChI=1S/C25H27ClN4O4/c1-33-20-4-2-3-18(9-20)10-29-12-21(34-16-17-5-6-17)13-30(15-24(29)31)25(32)22-14-28-11-19(26)7-8-23(28)27-22/h2-4,7-9,11,14,17,21H,5-6,10,12-13,15-16H2,1H3
InChIKeyUXMVKCBTUWLWNU-UHFFFAOYSA-N
XLogP3.28
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-4-(2-chlorobenzoyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 26137024
(6S)-4-(2-chlorobenzoyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 26137023
(6R)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(thiophene-2-carbonyl)-1,4-diazepan-2-one
CID 26146101
6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-(thiophene-2-carbonyl)-1,4-diazepan-2-one
CID 45161794
6-(cyclopropylmethoxy)-4-(3-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 45161350
(6S)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-1,4-diazepan-2-one
CID 26145137
(6S)-6-(cyclopropylmethoxy)-4-[2-(1H-imidazol-2-yl)benzoyl]-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 26146126
(6S)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,4-diazepan-2-one
CID 26137069
1-benzyl-6-(cyclopropylmethoxy)-4-(3-methylbenzoyl)-1,4-diazepan-2-one
CID 45159074
(6S)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(3S)-1-pyridin-2-ylpiperidine-3-carbonyl]-1,4-diazepan-2-one
CID 26139831
6-(cyclopropylmethoxy)-4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 45159486
4-(2-chlorobenzoyl)-6-(cyclopropylmethoxy)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 45159894

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one (CID 45160705) is 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one is COc1cccc(CN2CC(OCC3CC3)CN(C(=O)c3cn4cc(Cl)ccc4n3)CC2=O)c1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one?
The InChIKey is UXMVKCBTUWLWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-33-20-4-2-3-18(9-20)10-29-12-21(34-16-17-5-6-17)13-30(15-24(29)31)25(32)22-14-28-11-19(26)7-8-23(28)27-22/h2-4,7-9,11,14,17,21H,5-6,10,12-13,15-16H2,1H3.
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one?
4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one has a molecular weight of 482.97 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one is sourced from PubChem (CID 45160705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).