7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

C24H23ClN4O — CID 122441850

IUPAC7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(C2CCNCC2)nc2nc(-c3ccc(COc4ccccc4)cc3)[nH]c12
InChIInChI=1S/C24H23ClN4O/c25-20-14-21(17-10-12-26-13-11-17)27-24-22(20)28-23(29-24)18-8-6-16(7-9-18)15-30-19-4-2-1-3-5-19/h1-9,14,17,26H,10-13,15H2,(H,27,28,29)
InChIKeyVMEKBMSXRPHFKC-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.32
Rot. Bonds5

About 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 122441850) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID122441850
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(C2CCNCC2)nc2nc(-c3ccc(COc4ccccc4)cc3)[nH]c12
InChIInChI=1S/C24H23ClN4O/c25-20-14-21(17-10-12-26-13-11-17)27-24-22(20)28-23(29-24)18-8-6-16(7-9-18)15-30-19-4-2-1-3-5-19/h1-9,14,17,26H,10-13,15H2,(H,27,28,29)
InChIKeyVMEKBMSXRPHFKC-UHFFFAOYSA-N
XLogP5.32
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-({5-chloro-1H-imidazo[4,5-b]pyridin-2-yl}methyl)-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 137368822
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
2-(4-Chloro-phenoxymethyl)-1-(3-piperidin-3-yl-propyl)-1H-benzoimidazole
CID 10601376
1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-5-amine
CID 42602632
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperazine-1-carboxamide
CID 46234149
4-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72194679
(3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-amine
CID 118878856

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (CID 122441850) is 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is Clc1cc(C2CCNCC2)nc2nc(-c3ccc(COc4ccccc4)cc3)[nH]c12.
What is the InChIKey of 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VMEKBMSXRPHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-20-14-21(17-10-12-26-13-11-17)27-24-22(20)28-23(29-24)18-8-6-16(7-9-18)15-30-19-4-2-1-3-5-19/h1-9,14,17,26H,10-13,15H2,(H,27,28,29).
What are the key properties of 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 418.93 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 122441850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).