(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone

C21H24ClN5O — CID 46957604

IUPAC(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cccc(CN2CCCN(C(=O)c3c(C)nc4ccc(Cl)cn34)CC2)n1
InChIInChI=1S/C21H24ClN5O/c1-15-5-3-6-18(23-15)14-25-9-4-10-26(12-11-25)21(28)20-16(2)24-19-8-7-17(22)13-27(19)20/h3,5-8,13H,4,9-12,14H2,1-2H3
InChIKeyNPRZEPQMWCIOLA-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.35
Rot. Bonds3

About (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone

(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 46957604) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID46957604
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cccc(CN2CCCN(C(=O)c3c(C)nc4ccc(Cl)cn34)CC2)n1
InChIInChI=1S/C21H24ClN5O/c1-15-5-3-6-18(23-15)14-25-9-4-10-26(12-11-25)21(28)20-16(2)24-19-8-7-17(22)13-27(19)20/h3,5-8,13H,4,9-12,14H2,1-2H3
InChIKeyNPRZEPQMWCIOLA-UHFFFAOYSA-N
XLogP3.35
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 23741163
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42512739
7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55544325
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110660029
7-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155914388
3-[4-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 119069229
N-[(2-chlorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide
CID 23934915
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46969368
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 166403975
1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane
CID 3867256
4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136883288

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone (CID 46957604) is (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone is Cc1cccc(CN2CCCN(C(=O)c3c(C)nc4ccc(Cl)cn34)CC2)n1.
What is the InChIKey of (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is NPRZEPQMWCIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-15-5-3-6-18(23-15)14-25-9-4-10-26(12-11-25)21(28)20-16(2)24-19-8-7-17(22)13-27(19)20/h3,5-8,13H,4,9-12,14H2,1-2H3.
What are the key properties of (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 397.91 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 46957604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).