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

C24H21F3N6O — CID 177050770

IUPAC5-methyl-2-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(-c2ccccc2)n1
InChIInChI=1S/C24H21F3N6O/c1-15-12-21(33(30-15)17-6-3-2-4-7-17)23(34)29-18-8-5-11-32-20(18)14-19(31-32)16-9-10-28-22(13-16)24(25,26)27/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3,(H,29,34)/t18-/m0/s1
InChIKeyGDBMASUMIQHQLF-SFHVURJKSA-N
MW466.47 g/mol
LogP4.72
Rot. Bonds4

About 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

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 (PubChem CID 177050770) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-3-carboxamide
PubChem CID177050770
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name5-methyl-2-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(-c2ccccc2)n1
InChIInChI=1S/C24H21F3N6O/c1-15-12-21(33(30-15)17-6-3-2-4-7-17)23(34)29-18-8-5-11-32-20(18)14-19(31-32)16-9-10-28-22(13-16)24(25,26)27/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3,(H,29,34)/t18-/m0/s1
InChIKeyGDBMASUMIQHQLF-SFHVURJKSA-N
XLogP4.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is GDBMASUMIQHQLF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-15-12-21(33(30-15)17-6-3-2-4-7-17)23(34)29-18-8-5-11-32-20(18)14-19(31-32)16-9-10-28-22(13-16)24(25,26)27/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3,(H,29,34)/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 466.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177050770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).