2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

C25H27FN4O2 — CID 155727382

IUPAC2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESC=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC)N(C)C1CC1F
InChIInChI=1S/C25H27FN4O2/c1-15(29(4)21-11-19(21)26)24-22(31-5)9-16(10-23(24)32-6)18-12-28-30-13-17(7-8-20(18)30)25(2,3)14-27/h7-10,12-13,19,21H,1,11H2,2-6H3
InChIKeyKNPXHWYSSBALFH-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.83
Rot. Bonds7

About 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (PubChem CID 155727382) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
PubChem CID155727382
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESC=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC)N(C)C1CC1F
InChIInChI=1S/C25H27FN4O2/c1-15(29(4)21-11-19(21)26)24-22(31-5)9-16(10-23(24)32-6)18-12-28-30-13-17(7-8-20(18)30)25(2,3)14-27/h7-10,12-13,19,21H,1,11H2,2-6H3
InChIKeyKNPXHWYSSBALFH-UHFFFAOYSA-N
XLogP4.83
TPSA62.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-pyrazolo[1,5-a]pyridin-2-ylmethylpentan-2-ol
CID 46938915
3-[Cyclopropylmethyl(oxan-4-ylmethyl)amino]-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carbonitrile
CID 60155540
1-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16189882
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 155727246
6-Amino-4-(3,5-dimethoxyphenyl)-3-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961936
7-(2,6-dimethoxy-4-methylphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984657
7-(2,4-dimethoxy-6-methylphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984714
5-(3,5-Dimethoxy-4-piperidin-1-ylmethyl-phenyl)-2-fluoro-6'-(1-methyl-1h-pyrazol-4-yl)-[3,4']bipyridinyl-3'-ylamine
CID 58266417
7-(2,4-dimethoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58764304
7-(2,4-dimethoxyphenyl)-N,2-diethyl-N-(2-fluoroethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58764317
N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine
CID 67219965
6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-c]pyridine
CID 86722816

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (CID 155727382) is 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is C=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC)N(C)C1CC1F.
What is the InChIKey of 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The InChIKey is KNPXHWYSSBALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-15(29(4)21-11-19(21)26)24-22(31-5)9-16(10-23(24)32-6)18-12-28-30-13-17(7-8-20(18)30)25(2,3)14-27/h7-10,12-13,19,21H,1,11H2,2-6H3.
What are the key properties of 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile has a molecular weight of 434.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is sourced from PubChem (CID 155727382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).