[6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C24H31ClN8O3 — CID 134324525

About [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 134324525) has the molecular formula C24H31ClN8O3 and a molecular weight of 515.02 g/mol. Its IUPAC name is [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• PubChem CID: 134324525
• Molecular Formula: C24H31ClN8O3
• Molecular Weight: 515.02 g/mol
• Exact Mass: 514.22
• IUPAC Name: [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
• SMILES: Cn1cc(-c2nc3nc(C(=O)N4CCC(N5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2Cl)cn1
• InChI: InChI=1S/C24H31ClN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-4-2-17(3-5-33)31-6-10-35-11-7-31/h14-15,17H,2-13H2,1H3,(H,27,28,29)
• InChIKey: ILAGWMBKGMGBSF-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 104.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.02
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The IUPAC name of [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 134324525) is [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

What is the SMILES notation for [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The canonical SMILES for [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Cn1cc(-c2nc3nc(C(=O)N4CCC(N5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2Cl)cn1.

What is the InChIKey of [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

The InChIKey is ILAGWMBKGMGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-4-2-17(3-5-33)31-6-10-35-11-7-31/h14-15,17H,2-13H2,1H3,(H,27,28,29).

What are the key properties of [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?

[6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 515.02 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).