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

C17H14F6N6OS — CID 177050639

IUPAC1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)s3)cc21
InChIInChI=1S/C17H14F6N6OS/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1
InChIKeyHNUNRUREZGRVIF-QMMMGPOBSA-N
MW464.40 g/mol
LogP4.04
Rot. Bonds3

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

1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (PubChem CID 177050639) has the molecular formula C17H14F6N6OS and a molecular weight of 464.40 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
PubChem CID177050639
Molecular FormulaC17H14F6N6OS
Molecular Weight464.40 g/mol
Exact Mass464.09
IUPAC Name1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)s3)cc21
InChIInChI=1S/C17H14F6N6OS/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1
InChIKeyHNUNRUREZGRVIF-QMMMGPOBSA-N
XLogP4.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (CID 177050639) is 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)s3)cc21.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The InChIKey is HNUNRUREZGRVIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H14F6N6OS/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1.
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177050639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).