N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C22H23F2N5O4S — CID 134455510

About N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455510) has the molecular formula C22H23F2N5O4S and a molecular weight of 491.52 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455510
• Molecular Formula: C22H23F2N5O4S
• Molecular Weight: 491.52 g/mol
• Exact Mass: 491.14
• IUPAC Name: N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: CS(=O)(=O)c1cc([C@H]2CCOC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C22H23F2N5O4S/c1-34(31,32)16-8-12(13-6-7-33-10-13)4-5-14(16)25-15-9-17(27-22(30)11-2-3-11)26-20-18(15)28-21(29-20)19(23)24/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3,(H3,25,26,27,28,29,30)/t13-/m0/s1
• InChIKey: UWXZQLROHGZOGK-ZDUSSCGKSA-N
• XLogP: 3.89
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455510) is N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CS(=O)(=O)c1cc([C@H]2CCOC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

What is the InChIKey of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The InChIKey is UWXZQLROHGZOGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23F2N5O4S/c1-34(31,32)16-8-12(13-6-7-33-10-13)4-5-14(16)25-15-9-17(27-22(30)11-2-3-11)26-20-18(15)28-21(29-20)19(23)24/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3,(H3,25,26,27,28,29,30)/t13-/m0/s1.

What are the key properties of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxolan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).