3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide

C21H21F3N6O2 — CID 177050225

IUPAC3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(OC2CC2)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C21H21F3N6O2/c1-29-17(11-19(28-29)32-13-4-5-13)20(31)26-14-3-2-8-30-16(14)10-15(27-30)12-6-7-25-18(9-12)21(22,23)24/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,26,31)/t14-/m0/s1
InChIKeyXTULZYOAVOOZPQ-AWEZNQCLSA-N
MW446.43 g/mol
LogP3.50
Rot. Bonds5

About 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide

3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (PubChem CID 177050225) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
PubChem CID177050225
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(OC2CC2)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C21H21F3N6O2/c1-29-17(11-19(28-29)32-13-4-5-13)20(31)26-14-3-2-8-30-16(14)10-15(27-30)12-6-7-25-18(9-12)21(22,23)24/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,26,31)/t14-/m0/s1
InChIKeyXTULZYOAVOOZPQ-AWEZNQCLSA-N
XLogP3.50
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (CID 177050225) is 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is Cn1nc(OC2CC2)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The InChIKey is XTULZYOAVOOZPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-29-17(11-19(28-29)32-13-4-5-13)20(31)26-14-3-2-8-30-16(14)10-15(27-30)12-6-7-25-18(9-12)21(22,23)24/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,26,31)/t14-/m0/s1.
What are the key properties of 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177050225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).