6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H16F4N6O — CID 177050521

IUPAC6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cnn2cc(F)ccc12
InChIInChI=1S/C21H16F4N6O/c22-13-3-4-17-14(10-27-31(17)11-13)20(32)28-15-2-1-7-30-18(15)9-16(29-30)12-5-6-26-19(8-12)21(23,24)25/h3-6,8-11,15H,1-2,7H2,(H,28,32)/t15-/m0/s1
InChIKeyOJMSZUJEQBMWDK-HNNXBMFYSA-N
MW444.39 g/mol
LogP4.02
Rot. Bonds3

About 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 177050521) has the molecular formula C21H16F4N6O and a molecular weight of 444.39 g/mol. Its IUPAC name is 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID177050521
Molecular FormulaC21H16F4N6O
Molecular Weight444.39 g/mol
Exact Mass444.13
IUPAC Name6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cnn2cc(F)ccc12
InChIInChI=1S/C21H16F4N6O/c22-13-3-4-17-14(10-27-31(17)11-13)20(32)28-15-2-1-7-30-18(15)9-16(29-30)12-5-6-26-19(8-12)21(23,24)25/h3-6,8-11,15H,1-2,7H2,(H,28,32)/t15-/m0/s1
InChIKeyOJMSZUJEQBMWDK-HNNXBMFYSA-N
XLogP4.02
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]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 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 177050521) is 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cnn2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OJMSZUJEQBMWDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H16F4N6O/c22-13-3-4-17-14(10-27-31(17)11-13)20(32)28-15-2-1-7-30-18(15)9-16(29-30)12-5-6-26-19(8-12)21(23,24)25/h3-6,8-11,15H,1-2,7H2,(H,28,32)/t15-/m0/s1.
What are the key properties of 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 444.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 177050521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).