6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

C20H24ClN5O2 — CID 127040661

IUPAC6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1OC
InChIInChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyRAEHGBLXUBDQLP-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.71
Rot. Bonds6

About 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127040661) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127040661
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1OC
InChIInChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyRAEHGBLXUBDQLP-UHFFFAOYSA-N
XLogP3.71
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127040661) is 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1OC.
What is the InChIKey of 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is RAEHGBLXUBDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 401.90 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127040661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).