methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H22ClN3O4 — CID 140914537

IUPACmethyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C22H22ClN3O4/c1-29-20-9-16(13-27)17(11-18(20)23)19-12-26-8-5-15(10-21(26)24-19)14-3-6-25(7-4-14)22(28)30-2/h3,5,8-12,27H,4,6-7,13H2,1-2H3
InChIKeyVHSVOBFNRRNMPY-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.01
Rot. Bonds4

About methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 140914537) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID140914537
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Namemethyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C22H22ClN3O4/c1-29-20-9-16(13-27)17(11-18(20)23)19-12-26-8-5-15(10-21(26)24-19)14-3-6-25(7-4-14)22(28)30-2/h3,5,8-12,27H,4,6-7,13H2,1-2H3
InChIKeyVHSVOBFNRRNMPY-UHFFFAOYSA-N
XLogP4.01
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 140914876
[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-piperazin-1-ylmethanone
CID 140914664
[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]phosphonic acid
CID 135334864
4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 135335135
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
tert-butyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazine-1-carboxylate
CID 140914670
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
[4-chloro-5-methoxy-2-[7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 140914483
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
[4-chloro-2-[7-[(3S)-3-(1-cyclohexylethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914625
[4-chloro-5-methoxy-2-[7-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 148789456
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 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) is methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1.
What is the InChIKey of methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VHSVOBFNRRNMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-29-20-9-16(13-27)17(11-18(20)23)19-12-26-8-5-15(10-21(26)24-19)14-3-6-25(7-4-14)22(28)30-2/h3,5,8-12,27H,4,6-7,13H2,1-2H3.
What are the key properties of methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 427.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 140914537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).