2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole

C27H24ClN5OS — CID 59786289

IUPAC2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4nc(N5CCCC5)ccc4[nH]3)cs2)c1
InChIInChI=1S/C27H24ClN5OS/c28-20-8-10-23(34-16-18-6-2-1-3-7-18)19(14-20)15-25-29-22(17-35-25)27-30-21-9-11-24(31-26(21)32-27)33-12-4-5-13-33/h1-3,6-11,14,17H,4-5,12-13,15-16H2,(H,30,31,32)
InChIKeyTWGMVFJJLDRLOG-UHFFFAOYSA-N
MW502.04 g/mol
LogP6.50
Rot. Bonds7

About 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole

2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole (PubChem CID 59786289) has the molecular formula C27H24ClN5OS and a molecular weight of 502.04 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
PubChem CID59786289
Molecular FormulaC27H24ClN5OS
Molecular Weight502.04 g/mol
Exact Mass501.14
IUPAC Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4nc(N5CCCC5)ccc4[nH]3)cs2)c1
InChIInChI=1S/C27H24ClN5OS/c28-20-8-10-23(34-16-18-6-2-1-3-7-18)19(14-20)15-25-29-22(17-35-25)27-30-21-9-11-24(31-26(21)32-27)33-12-4-5-13-33/h1-3,6-11,14,17H,4-5,12-13,15-16H2,(H,30,31,32)
InChIKeyTWGMVFJJLDRLOG-UHFFFAOYSA-N
XLogP6.50
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.04
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-thiazole;hydrochloride
CID 69320765
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
CID 59786346
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1,3-oxazole
CID 59786298
5-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368194
3-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 142249318
2-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-5-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-b]pyrazine;hydrochloride
CID 160546904
N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59786292
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
2-[2-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazol-4-yl]-3H-benzimidazol-5-yl]ethanol
CID 59786404
4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
CID 90368139

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole (CID 59786289) is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole is Clc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4nc(N5CCCC5)ccc4[nH]3)cs2)c1.
What is the InChIKey of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The InChIKey is TWGMVFJJLDRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5OS/c28-20-8-10-23(34-16-18-6-2-1-3-7-18)19(14-20)15-25-29-22(17-35-25)27-30-21-9-11-24(31-26(21)32-27)33-12-4-5-13-33/h1-3,6-11,14,17H,4-5,12-13,15-16H2,(H,30,31,32).
What are the key properties of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole has a molecular weight of 502.04 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(5-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole is sourced from PubChem (CID 59786289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).