N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C30H31F3N6O2 — CID 164615333

About N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 164615333) has the molecular formula C30H31F3N6O2 and a molecular weight of 564.61 g/mol. Its IUPAC name is N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 164615333
• Molecular Formula: C30H31F3N6O2
• Molecular Weight: 564.61 g/mol
• Exact Mass: 564.25
• IUPAC Name: N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnn5ccccc45)c3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C30H31F3N6O2/c1-3-37-12-14-38(15-13-37)19-22-9-8-21(16-25(22)30(31,32)33)28(40)35-23-10-7-20(2)26(17-23)36-29(41)24-18-34-39-11-5-4-6-27(24)39/h4-11,16-18H,3,12-15,19H2,1-2H3,(H,35,40)(H,36,41)
• InChIKey: FJXSNMQHEUMWBC-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 81.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.61
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 164615333) is N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnn5ccccc45)c3)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is FJXSNMQHEUMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O2/c1-3-37-12-14-38(15-13-37)19-22-9-8-21(16-25(22)30(31,32)33)28(40)35-23-10-7-20(2)26(17-23)36-29(41)24-18-34-39-11-5-4-6-27(24)39/h4-11,16-18H,3,12-15,19H2,1-2H3,(H,35,40)(H,36,41).

What are the key properties of N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 564.61 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 164615333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).