2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile

C23H20F3N5O3 — CID 118478950

IUPAC2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
SMILESCOc1c(C#N)ccc(OC(C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3cccnc3)cc2C1
InChIInChI=1S/C23H20F3N5O3/c1-14(23(24,25)26)34-19-6-5-15(10-27)21(33-2)20(19)22(32)30-9-7-18-16(12-30)13-31(29-18)17-4-3-8-28-11-17/h3-6,8,11,13-14H,7,9,12H2,1-2H3
InChIKeyUBXDGYAJFBUNKR-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.68
Rot. Bonds5

About 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile

2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile (PubChem CID 118478950) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
PubChem CID118478950
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile
SMILESCOc1c(C#N)ccc(OC(C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3cccnc3)cc2C1
InChIInChI=1S/C23H20F3N5O3/c1-14(23(24,25)26)34-19-6-5-15(10-27)21(33-2)20(19)22(32)30-9-7-18-16(12-30)13-31(29-18)17-4-3-8-28-11-17/h3-6,8,11,13-14H,7,9,12H2,1-2H3
InChIKeyUBXDGYAJFBUNKR-UHFFFAOYSA-N
XLogP3.68
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile 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
4-(2-Methylpropoxy)-3-[6-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl]benzonitrile
CID 57753326
4-Propan-2-yloxy-3-[6-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl]benzonitrile
CID 57753454
4-Propan-2-yloxy-3-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl]benzonitrile
CID 57753467
4-(2-Methylpropoxy)-3-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl]benzonitrile
CID 57753564
2-(2,4-dimethoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The IUPAC name of 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile (CID 118478950) is 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile.
What is the SMILES notation for 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The canonical SMILES for 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile is COc1c(C#N)ccc(OC(C)C(F)(F)F)c1C(=O)N1CCc2nn(-c3cccnc3)cc2C1.
What is the InChIKey of 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
The InChIKey is UBXDGYAJFBUNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-14(23(24,25)26)34-19-6-5-15(10-27)21(33-2)20(19)22(32)30-9-7-18-16(12-30)13-31(29-18)17-4-3-8-28-11-17/h3-6,8,11,13-14H,7,9,12H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile?
2-methoxy-3-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile has a molecular weight of 471.44 g/mol, XLogP of 3.68, 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-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl)-4-(1,1,1-trifluoropropan-2-yloxy)benzonitrile is sourced from PubChem (CID 118478950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).