[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C32H29ClN4O2 — CID 121309681

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1
InChIInChI=1S/C32H29ClN4O2/c1-39-28-9-5-8-25(20-28)32(38)36-18-16-35(17-19-36)22-29-31(24-10-13-27(33)14-11-24)34-30-15-12-26(21-37(29)30)23-6-3-2-4-7-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyBVQVPTIQQGCNPN-UHFFFAOYSA-N
MW537.06 g/mol
LogP6.29
Rot. Bonds6

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 121309681) has the molecular formula C32H29ClN4O2 and a molecular weight of 537.06 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID121309681
Molecular FormulaC32H29ClN4O2
Molecular Weight537.06 g/mol
Exact Mass536.20
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1
InChIInChI=1S/C32H29ClN4O2/c1-39-28-9-5-8-25(20-28)32(38)36-18-16-35(17-19-36)22-29-31(24-10-13-27(33)14-11-24)34-30-15-12-26(21-37(29)30)23-6-3-2-4-7-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyBVQVPTIQQGCNPN-UHFFFAOYSA-N
XLogP6.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
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CID 71816518
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
2-[2-(4-chlorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10573035
7-(4-methoxyphenyl)-2-[4-(piperidin-1-ylcarbonyl)phenyl]-3H-imidazo[4,5-b]pyridine
CID 16122967
[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 45381802
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375
1-[(3-Chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-8-methyl-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]urea
CID 151731425
5-[(2,6-Dichlorophenyl)methyl]-7-[2-methoxy-4-(2-piperidin-1-ylethylcarbamoyl)anilino]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 57520583
5-[(2,6-Dichlorophenyl)methyl]-7-[2-methoxy-4-(piperazine-1-carbonyl)anilino]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 57520585

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 121309681) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is BVQVPTIQQGCNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O2/c1-39-28-9-5-8-25(20-28)32(38)36-18-16-35(17-19-36)22-29-31(24-10-13-27(33)14-11-24)34-30-15-12-26(21-37(29)30)23-6-3-2-4-7-23/h2-15,20-21H,16-19,22H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 537.06 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 121309681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).