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

C20H24ClN5O2S — CID 127038327

IUPAC6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c23)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)29(2,27)28/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyJNBQEQNFVNJYHB-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.44
Rot. Bonds5

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

6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127038327) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127038327
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC Name6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c23)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)29(2,27)28/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyJNBQEQNFVNJYHB-UHFFFAOYSA-N
XLogP3.44
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.44
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-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127038327) is 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is CN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c23)CC1.
What is the InChIKey of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is JNBQEQNFVNJYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-26-9-7-13(8-10-26)11-22-17-16(21)12-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)29(2,27)28/h3-6,12-13H,7-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 433.97 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).