2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C24H23F3N6O4 — CID 175533365

About 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 175533365) has the molecular formula C24H23F3N6O4 and a molecular weight of 516.48 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 175533365
• Molecular Formula: C24H23F3N6O4
• Molecular Weight: 516.48 g/mol
• Exact Mass: 516.17
• IUPAC Name: 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccn[nH]2)c(N2CCC(O)C2)nc1NC(=O)C1CC1
• InChI: InChI=1S/C24H23F3N6O4/c25-24(26,27)37-16-5-3-14(4-6-16)29-23(36)18-11-17(19-7-9-28-32-19)21(33-10-8-15(34)12-33)30-20(18)31-22(35)13-1-2-13/h3-7,9,11,13,15,34H,1-2,8,10,12H2,(H,28,32)(H,29,36)(H,30,31,35)
• InChIKey: DVFQLIIJHUNUEK-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 132.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 175533365) is 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccn[nH]2)c(N2CCC(O)C2)nc1NC(=O)C1CC1.

What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is DVFQLIIJHUNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O4/c25-24(26,27)37-16-5-3-14(4-6-16)29-23(36)18-11-17(19-7-9-28-32-19)21(33-10-8-15(34)12-33)30-20(18)31-22(35)13-1-2-13/h3-7,9,11,13,15,34H,1-2,8,10,12H2,(H,28,32)(H,29,36)(H,30,31,35).

What are the key properties of 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 516.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropanecarbonylamino)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).