2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile

C24H19F6N5O3 — CID 118478954

IUPAC2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
SMILESCOc1c(C#N)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C24H19F6N5O3/c1-13(23(25,26)27)38-18-4-3-14(10-31)21(37-2)20(18)22(36)34-8-6-17-15(11-34)12-35(33-17)16-5-7-32-19(9-16)24(28,29)30/h3-5,7,9,12-13H,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyYXPKKPGOLXCEHL-ZDUSSCGKSA-N
MW539.44 g/mol
LogP4.69
Rot. Bonds5

About 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile

2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile (PubChem CID 118478954) has the molecular formula C24H19F6N5O3 and a molecular weight of 539.44 g/mol. Its IUPAC name is 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
PubChem CID118478954
Molecular FormulaC24H19F6N5O3
Molecular Weight539.44 g/mol
Exact Mass539.14
IUPAC Name2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
SMILESCOc1c(C#N)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C24H19F6N5O3/c1-13(23(25,26)27)38-18-4-3-14(10-31)21(37-2)20(18)22(36)34-8-6-17-15(11-34)12-35(33-17)16-5-7-32-19(9-16)24(28,29)30/h3-5,7,9,12-13H,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyYXPKKPGOLXCEHL-ZDUSSCGKSA-N
XLogP4.69
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile with MolForge

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Related Compounds

3-[2-(5-Fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-propan-2-yloxybenzonitrile
CID 118478986
4-(Cyclopropylmethoxy)-3-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
CID 118479222
3-[2-(5-fluoropyridin-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-2-methoxy-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479244
GlyT1 Inhibitor 1
CID 118479295
3-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479305
3-[2-(5-fluoropyridin-3-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479316
3-[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479354
US20260062387, Comparative Example 5
CID 155727246
[5-(3-Methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561500
2-methoxy-5-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 178300820
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 72851405
63 5-((N-methyl-2-(3-(trifluoromethoxy)phenoxy)acetamido)methyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 170752877

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The IUPAC name of 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile (CID 118478954) is 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The canonical SMILES for 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile is COc1c(C#N)ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc2C1.
What is the InChIKey of 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
The InChIKey is YXPKKPGOLXCEHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H19F6N5O3/c1-13(23(25,26)27)38-18-4-3-14(10-31)21(37-2)20(18)22(36)34-8-6-17-15(11-34)12-35(33-17)16-5-7-32-19(9-16)24(28,29)30/h3-5,7,9,12-13H,6,8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile?
2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile has a molecular weight of 539.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 118478954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).