(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid

C19H22F3N5O3 — CID 177302591

IUPAC(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1[C@@H](C(F)(F)F)CN(c1ccc(C(=O)N(C)C)cn1)C2
InChIInChI=1S/C19H22F3N5O3/c1-10(2)27-16-12(15(24-27)18(29)30)8-26(9-13(16)19(20,21)22)14-6-5-11(7-23-14)17(28)25(3)4/h5-7,10,13H,8-9H2,1-4H3,(H,29,30)/t13-/m0/s1
InChIKeyHTWPGAOCFBRRCC-ZDUSSCGKSA-N
MW425.41 g/mol
LogP2.93
Rot. Bonds4

About (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid

(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid (PubChem CID 177302591) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
PubChem CID177302591
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1[C@@H](C(F)(F)F)CN(c1ccc(C(=O)N(C)C)cn1)C2
InChIInChI=1S/C19H22F3N5O3/c1-10(2)27-16-12(15(24-27)18(29)30)8-26(9-13(16)19(20,21)22)14-6-5-11(7-23-14)17(28)25(3)4/h5-7,10,13H,8-9H2,1-4H3,(H,29,30)/t13-/m0/s1
InChIKeyHTWPGAOCFBRRCC-ZDUSSCGKSA-N
XLogP2.93
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

3-Tert-butyl-1-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162669354
1-Pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2999822
US10239838, Example 24
CID 121413934
N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)-2-(1H-pyrazol-1-yl)nicotinamide
CID 121416869
1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 19624583
1-[(4-Fluorophenyl)methyl]-5-[(6-methylpyridine-3-carbonyl)amino]pyrazole-3-carboxylic acid
CID 168279657
Methyl 5-[5-(ethoxycarbonyl)pyridin-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50976583
1-(3-phenylpropyl)-5-(pyridin-3-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718531
6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 164640368
5-(4-Fluorophenyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 20116627
4-[5-(7-Oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-6-(2,2,2-trifluoroethylamino)pyridin-2-yl]benzoic acid
CID 56948614
(R)-4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
CID 58486578

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The IUPAC name of (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid (CID 177302591) is (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid.
What is the SMILES notation for (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The canonical SMILES for (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid is CC(C)n1nc(C(=O)O)c2c1[C@@H](C(F)(F)F)CN(c1ccc(C(=O)N(C)C)cn1)C2.
What is the InChIKey of (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The InChIKey is HTWPGAOCFBRRCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-10(2)27-16-12(15(24-27)18(29)30)8-26(9-13(16)19(20,21)22)14-6-5-11(7-23-14)17(28)25(3)4/h5-7,10,13H,8-9H2,1-4H3,(H,29,30)/t13-/m0/s1.
What are the key properties of (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
(7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid has a molecular weight of 425.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 177302591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).