(7R)-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 177302863

IUPAC(7R)-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-/m1/s1
InChIKeyHTWPGAOCFBRRCC-CYBMUJFWSA-N
MW425.41 g/mol
LogP2.93
Rot. Bonds4

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

(7R)-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 177302863) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is (7R)-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(7R)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
PubChem CID177302863
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name(7R)-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-/m1/s1
InChIKeyHTWPGAOCFBRRCC-CYBMUJFWSA-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 (7R)-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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Frequently Asked Questions

What is the IUPAC name of (7R)-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 (7R)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid (CID 177302863) is (7R)-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 (7R)-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 (7R)-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 (7R)-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-CYBMUJFWSA-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-/m1/s1.
What are the key properties of (7R)-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-1-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
(7R)-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 (7R)-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 177302863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).