[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C23H24ClN5O2 — CID 146516292

IUPAC[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESC/N=C(/C1=C(N)CN(C(=O)c2c(C)nc3ccccn23)CC1)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-22(29-8-5-4-6-20(29)27-14)23(30)28-9-7-18(19(25)13-28)21(26-2)15-10-16(24)12-17(11-15)31-3/h4-6,8,10-12H,7,9,13,25H2,1-3H3/b26-21+
InChIKeyONGQOAOWAYUGOR-YYADALCUSA-N
MW437.93 g/mol
LogP3.48
Rot. Bonds4

About [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 146516292) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID146516292
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESC/N=C(/C1=C(N)CN(C(=O)c2c(C)nc3ccccn23)CC1)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-22(29-8-5-4-6-20(29)27-14)23(30)28-9-7-18(19(25)13-28)21(26-2)15-10-16(24)12-17(11-15)31-3/h4-6,8,10-12H,7,9,13,25H2,1-3H3/b26-21+
InChIKeyONGQOAOWAYUGOR-YYADALCUSA-N
XLogP3.48
TPSA85.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
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CID 126891685
1-[5-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529942
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154699
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693942
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
7-chloro-N-(3,5-dimethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569488
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 146516292) is [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is C/N=C(/C1=C(N)CN(C(=O)c2c(C)nc3ccccn23)CC1)c1cc(Cl)cc(OC)c1.
What is the InChIKey of [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is ONGQOAOWAYUGOR-YYADALCUSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-14-22(29-8-5-4-6-20(29)27-14)23(30)28-9-7-18(19(25)13-28)21(26-2)15-10-16(24)12-17(11-15)31-3/h4-6,8,10-12H,7,9,13,25H2,1-3H3/b26-21+.
What are the key properties of [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 437.93 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 146516292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).