1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide

C27H27ClN4O3 — CID 140914841

IUPAC1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(C(=O)Nc5ccccc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-35-25-13-19(17-33)22(15-23(25)28)24-16-32-12-9-21(14-26(32)30-24)31-10-7-18(8-11-31)27(34)29-20-5-3-2-4-6-20/h2-6,9,12-16,18,33H,7-8,10-11,17H2,1H3,(H,29,34)
InChIKeyDOVDSFNRXIELOB-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.01
Rot. Bonds6

About 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide

1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 140914841) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID140914841
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(C(=O)Nc5ccccc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-35-25-13-19(17-33)22(15-23(25)28)24-16-32-12-9-21(14-26(32)30-24)31-10-7-18(8-11-31)27(34)29-20-5-3-2-4-6-20/h2-6,9,12-16,18,33H,7-8,10-11,17H2,1H3,(H,29,34)
InChIKeyDOVDSFNRXIELOB-UHFFFAOYSA-N
XLogP5.01
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 140914371
N-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 154702314
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
[4-[[[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]amino]methyl]phenyl]methanol
CID 140914730
[4-chloro-2-[7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
[4-chloro-2-[7-[(3S)-3-(1-cyclohexylethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914625
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
CID 140914622
[4-chloro-2-[7-[(3S)-3-[(2-fluoro-4-pyridinyl)methylamino]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914450
tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid
CID 135335366
[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
tert-butyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazine-1-carboxylate
CID 140914670

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide (CID 140914841) is 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide is COc1cc(CO)c(-c2cn3ccc(N4CCC(C(=O)Nc5ccccc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is DOVDSFNRXIELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-35-25-13-19(17-33)22(15-23(25)28)24-16-32-12-9-21(14-26(32)30-24)31-10-7-18(8-11-31)27(34)29-20-5-3-2-4-6-20/h2-6,9,12-16,18,33H,7-8,10-11,17H2,1H3,(H,29,34).
What are the key properties of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide?
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 490.99 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 140914841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).