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

C19H21ClFN5O — CID 127040662

IUPAC6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c(F)c1
InChIInChI=1S/C19H21ClFN5O/c1-27-12-2-3-13(15(21)8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26)
InChIKeyGWTXIMSKWFPTGI-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.84
Rot. Bonds5

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

6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127040662) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127040662
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c(F)c1
InChIInChI=1S/C19H21ClFN5O/c1-27-12-2-3-13(15(21)8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26)
InChIKeyGWTXIMSKWFPTGI-UHFFFAOYSA-N
XLogP3.84
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127040662) is 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c(F)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is GWTXIMSKWFPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c1-27-12-2-3-13(15(21)8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 389.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127040662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).