N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H17F5N6O2 — CID 177050857

About N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177050857) has the molecular formula C19H17F5N6O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 177050857
• Molecular Formula: C19H17F5N6O2
• Molecular Weight: 456.38 g/mol
• Exact Mass: 456.13
• IUPAC Name: N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(OC(F)F)c3)cc21
• InChI: InChI=1S/C19H17F5N6O2/c1-29-14(9-15(28-29)19(22,23)24)17(31)26-11-3-2-6-30-13(11)8-12(27-30)10-4-5-25-16(7-10)32-18(20)21/h4-5,7-9,11,18H,2-3,6H2,1H3,(H,26,31)/t11-/m0/s1
• InChIKey: DHMNFSNCWKIXTC-NSHDSACASA-N
• XLogP: 3.56
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177050857) is N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(OC(F)F)c3)cc21.

What is the InChIKey of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is DHMNFSNCWKIXTC-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F5N6O2/c1-29-14(9-15(28-29)19(22,23)24)17(31)26-11-3-2-6-30-13(11)8-12(27-30)10-4-5-25-16(7-10)32-18(20)21/h4-5,7-9,11,18H,2-3,6H2,1H3,(H,26,31)/t11-/m0/s1.

What are the key properties of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177050857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).