N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

C29H29F4N5O2 — CID 163202315

About N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163202315) has the molecular formula C29H29F4N5O2 and a molecular weight of 555.58 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 163202315
• Molecular Formula: C29H29F4N5O2
• Molecular Weight: 555.58 g/mol
• Exact Mass: 555.23
• IUPAC Name: N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCN(c5ccc(OC(F)(F)F)cc5)[C@H](C)C4)c(F)c3)c2c1
• InChI: InChI=1S/C29H29F4N5O2/c1-18-10-11-38-26(14-18)27(20(3)35-38)28(39)34-16-21-4-9-25(24(30)15-21)36-12-13-37(19(2)17-36)22-5-7-23(8-6-22)40-29(31,32)33/h4-11,14-15,19H,12-13,16-17H2,1-3H3,(H,34,39)/t19-/m1/s1
• InChIKey: APCGVOCKUNCNAR-LJQANCHMSA-N
• XLogP: 5.63
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.58
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 163202315) is N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCN(c5ccc(OC(F)(F)F)cc5)[C@H](C)C4)c(F)c3)c2c1.

What is the InChIKey of N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is APCGVOCKUNCNAR-LJQANCHMSA-N. The full InChI is InChI=1S/C29H29F4N5O2/c1-18-10-11-38-26(14-18)27(20(3)35-38)28(39)34-16-21-4-9-25(24(30)15-21)36-12-13-37(19(2)17-36)22-5-7-23(8-6-22)40-29(31,32)33/h4-11,14-15,19H,12-13,16-17H2,1-3H3,(H,34,39)/t19-/m1/s1.

What are the key properties of N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?

N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 555.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163202315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).