N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide

C24H29F3N8O3 — CID 178008706

About N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 178008706) has the molecular formula C24H29F3N8O3 and a molecular weight of 534.54 g/mol. Its IUPAC name is N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 178008706
• Molecular Formula: C24H29F3N8O3
• Molecular Weight: 534.54 g/mol
• Exact Mass: 534.23
• IUPAC Name: N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: COCC(NC(=O)c1ccnn1C(C)C)c1nc2ncc(C(C3CC3)N3CC(C(F)(F)F)NC3=O)cc2[nH]1
• InChI: InChI=1S/C24H29F3N8O3/c1-12(2)35-17(6-7-29-35)22(36)31-16(11-38-3)21-30-15-8-14(9-28-20(15)33-21)19(13-4-5-13)34-10-18(24(25,26)27)32-23(34)37/h6-9,12-13,16,18-19H,4-5,10-11H2,1-3H3,(H,31,36)(H,32,37)(H,28,30,33)
• InChIKey: ZRCNQCHKSCJBDE-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.54
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 178008706) is N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide is COCC(NC(=O)c1ccnn1C(C)C)c1nc2ncc(C(C3CC3)N3CC(C(F)(F)F)NC3=O)cc2[nH]1.

What is the InChIKey of N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is ZRCNQCHKSCJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8O3/c1-12(2)35-17(6-7-29-35)22(36)31-16(11-38-3)21-30-15-8-14(9-28-20(15)33-21)19(13-4-5-13)34-10-18(24(25,26)27)32-23(34)37/h6-9,12-13,16,18-19H,4-5,10-11H2,1-3H3,(H,31,36)(H,32,37)(H,28,30,33).

What are the key properties of N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 534.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-[cyclopropyl-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 178008706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).