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

C21H23F3N6O2 — CID 177050684

IUPAC1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C21H23F3N6O2/c1-12(2)32-19-11-17(29(3)28-19)20(31)26-14-5-4-8-30-16(14)10-15(27-30)13-6-7-25-18(9-13)21(22,23)24/h6-7,9-12,14H,4-5,8H2,1-3H3,(H,26,31)/t14-/m0/s1
InChIKeyGVBSFVJJNUDCMO-AWEZNQCLSA-N
MW448.45 g/mol
LogP3.75
Rot. Bonds5

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

1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (PubChem CID 177050684) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
PubChem CID177050684
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC Name1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C21H23F3N6O2/c1-12(2)32-19-11-17(29(3)28-19)20(31)26-14-5-4-8-30-16(14)10-15(27-30)13-6-7-25-18(9-13)21(22,23)24/h6-7,9-12,14H,4-5,8H2,1-3H3,(H,26,31)/t14-/m0/s1
InChIKeyGVBSFVJJNUDCMO-AWEZNQCLSA-N
XLogP3.75
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yloxy-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 1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (CID 177050684) is 1-methyl-3-propan-2-yloxy-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 1-methyl-3-propan-2-yloxy-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 1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is CC(C)Oc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The InChIKey is GVBSFVJJNUDCMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-12(2)32-19-11-17(29(3)28-19)20(31)26-14-5-4-8-30-16(14)10-15(27-30)13-6-7-25-18(9-13)21(22,23)24/h6-7,9-12,14H,4-5,8H2,1-3H3,(H,26,31)/t14-/m0/s1.
What are the key properties of 1-methyl-3-propan-2-yloxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yloxy-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 448.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yloxy-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 177050684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).