6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C27H33ClN8S — CID 134177407

About 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177407) has the molecular formula C27H33ClN8S and a molecular weight of 537.14 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134177407
• Molecular Formula: C27H33ClN8S
• Molecular Weight: 537.14 g/mol
• Exact Mass: 536.22
• IUPAC Name: 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: CC1CN(Cc2nccs2)CCN1c1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C27H33ClN8S/c1-18-16-35(17-23-29-9-14-37-23)12-13-36(18)21-5-3-19(4-6-21)26-32-25-24(22(28)15-30-27(25)33-26)31-20-7-10-34(2)11-8-20/h3-6,9,14-15,18,20H,7-8,10-13,16-17H2,1-2H3,(H2,30,31,32,33)
• InChIKey: OSXANEMXTYCZMN-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 76.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.14
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177407) is 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CC1CN(Cc2nccs2)CCN1c1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1.

What is the InChIKey of 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is OSXANEMXTYCZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8S/c1-18-16-35(17-23-29-9-14-37-23)12-13-36(18)21-5-3-19(4-6-21)26-32-25-24(22(28)15-30-27(25)33-26)31-20-7-10-34(2)11-8-20/h3-6,9,14-15,18,20H,7-8,10-13,16-17H2,1-2H3,(H2,30,31,32,33).

What are the key properties of 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 537.14 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-[2-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).