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

C21H20F3N5O2 — CID 177051372

IUPAC1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)cn(C)c1=O
InChIInChI=1S/C21H20F3N5O2/c1-12-8-14(11-28(2)20(12)31)19(30)26-15-4-3-7-29-17(15)10-16(27-29)13-5-6-25-18(9-13)21(22,23)24/h5-6,8-11,15H,3-4,7H2,1-2H3,(H,26,30)/t15-/m0/s1
InChIKeySCQYMBAWYDDUOG-HNNXBMFYSA-N
MW431.42 g/mol
LogP3.24
Rot. Bonds3

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

1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 177051372) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide
PubChem CID177051372
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)cn(C)c1=O
InChIInChI=1S/C21H20F3N5O2/c1-12-8-14(11-28(2)20(12)31)19(30)26-15-4-3-7-29-17(15)10-16(27-29)13-5-6-25-18(9-13)21(22,23)24/h5-6,8-11,15H,3-4,7H2,1-2H3,(H,26,30)/t15-/m0/s1
InChIKeySCQYMBAWYDDUOG-HNNXBMFYSA-N
XLogP3.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide (CID 177051372) is 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)cn(C)c1=O.
What is the InChIKey of 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is SCQYMBAWYDDUOG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12-8-14(11-28(2)20(12)31)19(30)26-15-4-3-7-29-17(15)10-16(27-29)13-5-6-25-18(9-13)21(22,23)24/h5-6,8-11,15H,3-4,7H2,1-2H3,(H,26,30)/t15-/m0/s1.
What are the key properties of 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide?
1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-oxo-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 177051372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).