[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone

C26H25ClN4O3 — CID 140914664

IUPAC[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-34-24-12-20(16-32)21(14-22(24)27)23-15-31-9-6-19(13-25(31)29-23)17-2-4-18(5-3-17)26(33)30-10-7-28-8-11-30/h2-6,9,12-15,28,32H,7-8,10-11,16H2,1H3
InChIKeyMTRKUIOLRIKEJI-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.87
Rot. Bonds5

About [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone

[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 140914664) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID140914664
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-34-24-12-20(16-32)21(14-22(24)27)23-15-31-9-6-19(13-25(31)29-23)17-2-4-18(5-3-17)26(33)30-10-7-28-8-11-30/h2-6,9,12-15,28,32H,7-8,10-11,16H2,1H3
InChIKeyMTRKUIOLRIKEJI-UHFFFAOYSA-N
XLogP3.87
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 140914537
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
tert-butyl N-[2-[2-[[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzoyl]amino]ethylamino]ethyl]carbamate;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzoic acid;hexan-1-amine
CID 162166725
[4-chloro-5-methoxy-2-[7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 140914483
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
1-[4-[2-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 140914692
N-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-(methylamino)acetamide
CID 135334878
[4-chloro-2-[7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol
CID 159911475
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
[4-chloro-2-[7-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914512

Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone (CID 140914664) is [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone is COc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is MTRKUIOLRIKEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-34-24-12-20(16-32)21(14-22(24)27)23-15-31-9-6-19(13-25(31)29-23)17-2-4-18(5-3-17)26(33)30-10-7-28-8-11-30/h2-6,9,12-15,28,32H,7-8,10-11,16H2,1H3.
What are the key properties of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone?
[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 476.96 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 140914664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).