6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

C20H24ClN5O — CID 127041861

IUPAC6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(N(C)CC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C20H24ClN5O/c1-26(12-13-7-9-22-10-8-13)18-16(21)11-23-20-17(18)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,23,24,25)
InChIKeyQOMFBAOWCMRJLA-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.72
Rot. Bonds5

About 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127041861) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127041861
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(N(C)CC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C20H24ClN5O/c1-26(12-13-7-9-22-10-8-13)18-16(21)11-23-20-17(18)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,23,24,25)
InChIKeyQOMFBAOWCMRJLA-UHFFFAOYSA-N
XLogP3.72
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127041861) is 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(-c2nc3ncc(Cl)c(N(C)CC4CCNCC4)c3[nH]2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is QOMFBAOWCMRJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-26(12-13-7-9-22-10-8-13)18-16(21)11-23-20-17(18)24-19(25-20)14-3-5-15(27-2)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 385.90 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127041861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).