2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol

C25H28F3N3O3 — CID 155727676

IUPAC2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol
SMILESC=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)CO)ccc23)cc1OC(F)F)N(C)C1CC1F
InChIInChI=1S/C25H28F3N3O3/c1-14(30(4)20-10-18(20)26)23-21(33-5)8-15(9-22(23)34-24(27)28)17-11-29-31-12-16(6-7-19(17)31)25(2,3)13-32/h6-9,11-12,18,20,24,32H,1,10,13H2,2-5H3
InChIKeyNTEFVXHEWWATHK-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.89
Rot. Bonds9

About 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol

2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol (PubChem CID 155727676) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol
PubChem CID155727676
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol
SMILESC=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)CO)ccc23)cc1OC(F)F)N(C)C1CC1F
InChIInChI=1S/C25H28F3N3O3/c1-14(30(4)20-10-18(20)26)23-21(33-5)8-15(9-22(23)34-24(27)28)17-11-29-31-12-16(6-7-19(17)31)25(2,3)13-32/h6-9,11-12,18,20,24,32H,1,10,13H2,2-5H3
InChIKeyNTEFVXHEWWATHK-UHFFFAOYSA-N
XLogP4.89
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-{3-[(cyclopropylmethyl)(tetrahydro-2H-pyran-4-ylmethyl)a mino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl}-3,5-dimethoxyphen yl)methanol
CID 21084107
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-pyrazolo[1,5-a]pyridin-2-ylmethylpentan-2-ol
CID 46938915
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanol
CID 58014021
N-(cyclopropylmethyl)-7-(2,6-dimethoxy-4-methylphenyl)-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 60155709
3-[2-Ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazol-9-yl]oxypropan-1-ol
CID 155538792
2-Methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol
CID 137348373
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanol
CID 72193178
7-(2,6-dimethoxy-4-methylphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984657
1-[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol
CID 58014006
(S)-2-[5-(2-methoxy-4-trifluoromethoxy-phenyl)-3,6-dimethyl-pyrrolo[3,2-b]pyridin-1-yl]-butan-1-ol
CID 58702808
2-[5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 58703062
3-[[7-(2,4-Dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol
CID 58764319

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol (CID 155727676) is 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol is C=C(c1c(OC)cc(-c2cnn3cc(C(C)(C)CO)ccc23)cc1OC(F)F)N(C)C1CC1F.
What is the InChIKey of 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol?
The InChIKey is NTEFVXHEWWATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-14(30(4)20-10-18(20)26)23-21(33-5)8-15(9-22(23)34-24(27)28)17-11-29-31-12-16(6-7-19(17)31)25(2,3)13-32/h6-9,11-12,18,20,24,32H,1,10,13H2,2-5H3.
What are the key properties of 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol?
2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol has a molecular weight of 475.51 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 155727676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).