(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C24H25F3N6O2 — CID 164537813

IUPAC(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3cccc(C(F)(F)F)c3)cc1)[C@H](N1CCNCC1)CCN2
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)15-2-1-3-18(14-15)35-17-6-4-16(5-7-17)33-22(23(28)34)21-20(31-33)19(8-9-30-21)32-12-10-29-11-13-32/h1-7,14,19,29-30H,8-13H2,(H2,28,34)/t19-/m1/s1
InChIKeyVQXDVOAJUDOKGB-LJQANCHMSA-N
MW486.50 g/mol
LogP3.54
Rot. Bonds5

About (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537813) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537813
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3cccc(C(F)(F)F)c3)cc1)[C@H](N1CCNCC1)CCN2
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)15-2-1-3-18(14-15)35-17-6-4-16(5-7-17)33-22(23(28)34)21-20(31-33)19(8-9-30-21)32-12-10-29-11-13-32/h1-7,14,19,29-30H,8-13H2,(H2,28,34)/t19-/m1/s1
InChIKeyVQXDVOAJUDOKGB-LJQANCHMSA-N
XLogP3.54
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537813) is (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3cccc(C(F)(F)F)c3)cc1)[C@H](N1CCNCC1)CCN2.
What is the InChIKey of (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is VQXDVOAJUDOKGB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c25-24(26,27)15-2-1-3-18(14-15)35-17-6-4-16(5-7-17)33-22(23(28)34)21-20(31-33)19(8-9-30-21)32-12-10-29-11-13-32/h1-7,14,19,29-30H,8-13H2,(H2,28,34)/t19-/m1/s1.
What are the key properties of (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).