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

C22H28ClN5O2 — CID 127039917

IUPAC6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOCCN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(OC)cc4)[nH]c23)CC1
InChIInChI=1S/C22H28ClN5O2/c1-29-12-11-28-9-7-15(8-10-28)13-24-19-18(23)14-25-22-20(19)26-21(27-22)16-3-5-17(30-2)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyOPJRMKPTAUFGKS-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.06
Rot. Bonds8

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

6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127039917) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127039917
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOCCN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(OC)cc4)[nH]c23)CC1
InChIInChI=1S/C22H28ClN5O2/c1-29-12-11-28-9-7-15(8-10-28)13-24-19-18(23)14-25-22-20(19)26-21(27-22)16-3-5-17(30-2)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyOPJRMKPTAUFGKS-UHFFFAOYSA-N
XLogP4.06
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127039917) is 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is COCCN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(OC)cc4)[nH]c23)CC1.
What is the InChIKey of 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is OPJRMKPTAUFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-29-12-11-28-9-7-15(8-10-28)13-24-19-18(23)14-25-22-20(19)26-21(27-22)16-3-5-17(30-2)6-4-16/h3-6,14-15H,7-13H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 429.95 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127039917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).