N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide

C20H17F3N4O — CID 177296270

IUPACN-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
SMILESO=C(N[C@H]1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc2C1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18-10-14(6-8-24-18)17-12-16-11-15(7-9-27(16)26-17)25-19(28)13-4-2-1-3-5-13/h1-6,8,10,12,15H,7,9,11H2,(H,25,28)/t15-/m0/s1
InChIKeyCWRAWFWIUUZGAK-HNNXBMFYSA-N
MW386.38 g/mol
LogP3.71
Rot. Bonds3

About N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide

N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide (PubChem CID 177296270) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
PubChem CID177296270
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
SMILESO=C(N[C@H]1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc2C1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18-10-14(6-8-24-18)17-12-16-11-15(7-9-27(16)26-17)25-19(28)13-4-2-1-3-5-13/h1-6,8,10,12,15H,7,9,11H2,(H,25,28)/t15-/m0/s1
InChIKeyCWRAWFWIUUZGAK-HNNXBMFYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-5-yl]benzamide
CID 177051146
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-5-yl]pyrazole-5-carboxamide
CID 177050907
3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 177051751
3-chloro-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050464
3-fluoro-5-(2-hydroxypropan-2-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177296222
3-cyano-5-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177051690
3-cyano-4-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050632
2-ethoxy-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
CID 177050566
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677
5-methyl-2-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-3-carboxamide
CID 177050770

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The IUPAC name of N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide (CID 177296270) is N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The canonical SMILES for N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide is O=C(N[C@H]1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc2C1)c1ccccc1.
What is the InChIKey of N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The InChIKey is CWRAWFWIUUZGAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)18-10-14(6-8-24-18)17-12-16-11-15(7-9-27(16)26-17)25-19(28)13-4-2-1-3-5-13/h1-6,8,10,12,15H,7,9,11H2,(H,25,28)/t15-/m0/s1.
What are the key properties of N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide has a molecular weight of 386.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 177296270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).