N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H28F3N9O3 — CID 171656518

About N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656518) has the molecular formula C28H28F3N9O3 and a molecular weight of 595.59 g/mol. Its IUPAC name is N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 171656518
• Molecular Formula: C28H28F3N9O3
• Molecular Weight: 595.59 g/mol
• Exact Mass: 595.23
• IUPAC Name: N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2nnn(CCOCC(F)(F)F)n2)cc1NC(=O)c1cnn2ccc(-c3cnn(C4CCCCO4)c3)cc12
• InChI: InChI=1S/C28H28F3N9O3/c1-18-5-6-20(26-35-37-40(36-26)9-11-42-17-28(29,30)31)12-23(18)34-27(41)22-15-33-38-8-7-19(13-24(22)38)21-14-32-39(16-21)25-4-2-3-10-43-25/h5-8,12-16,25H,2-4,9-11,17H2,1H3,(H,34,41)
• InChIKey: HQCLEFSELWGCGW-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 126.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.59
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656518) is N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(CCOCC(F)(F)F)n2)cc1NC(=O)c1cnn2ccc(-c3cnn(C4CCCCO4)c3)cc12.

What is the InChIKey of N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HQCLEFSELWGCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N9O3/c1-18-5-6-20(26-35-37-40(36-26)9-11-42-17-28(29,30)31)12-23(18)34-27(41)22-15-33-38-8-7-19(13-24(22)38)21-14-32-39(16-21)25-4-2-3-10-43-25/h5-8,12-16,25H,2-4,9-11,17H2,1H3,(H,34,41).

What are the key properties of N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 595.59 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).