3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine

C24H24FN3O2 — CID 91826234

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(F)cc4)cc(C)cc23)cc1OC
InChIInChI=1S/C24H24FN3O2/c1-15-11-20-24(18-7-10-21(29-3)22(13-18)30-4)16(2)27-28(20)23(12-15)26-14-17-5-8-19(25)9-6-17/h5-13,26H,14H2,1-4H3
InChIKeyPBCKMTZAKLSHMY-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.39
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine

3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine (PubChem CID 91826234) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine
PubChem CID91826234
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(F)cc4)cc(C)cc23)cc1OC
InChIInChI=1S/C24H24FN3O2/c1-15-11-20-24(18-7-10-21(29-3)22(13-18)30-4)16(2)27-28(20)23(12-15)26-14-17-5-8-19(25)9-6-17/h5-13,26H,14H2,1-4H3
InChIKeyPBCKMTZAKLSHMY-UHFFFAOYSA-N
XLogP5.39
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255731
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
8-(3,4-dimethoxyphenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 145215545
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255736
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-amine
CID 118255804
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118265458
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 177379798
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine (CID 91826234) is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine is COc1ccc(-c2c(C)nn3c(NCc4ccc(F)cc4)cc(C)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is PBCKMTZAKLSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-11-20-24(18-7-10-21(29-3)22(13-18)30-4)16(2)27-28(20)23(12-15)26-14-17-5-8-19(25)9-6-17/h5-13,26H,14H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine?
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 405.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 91826234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).