3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol

C23H30FN3O3 — CID 58764319

IUPAC3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol
SMILESCCc1nn2c(-c3ccc(OC)cc3OC)cccc2c1N(CCCO)CCCF
InChIInChI=1S/C23H30FN3O3/c1-4-19-23(26(13-6-12-24)14-7-15-28)21-9-5-8-20(27(21)25-19)18-11-10-17(29-2)16-22(18)30-3/h5,8-11,16,28H,4,6-7,12-15H2,1-3H3
InChIKeyNTTPPSUEFYMYOB-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.13
Rot. Bonds11

About 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol

3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol (PubChem CID 58764319) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol
PubChem CID58764319
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol
SMILESCCc1nn2c(-c3ccc(OC)cc3OC)cccc2c1N(CCCO)CCCF
InChIInChI=1S/C23H30FN3O3/c1-4-19-23(26(13-6-12-24)14-7-15-28)21-9-5-8-20(27(21)25-19)18-11-10-17(29-2)16-22(18)30-3/h5,8-11,16,28H,4,6-7,12-15H2,1-3H3
InChIKeyNTTPPSUEFYMYOB-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 9827578
E-2508 free base
CID 10255153
(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
N,N-bis(cyclopropylmethyl)-2-ethyl-7-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984613
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 21984746
1-(2,4-Dimethoxy-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 44459324
N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58730488
N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58801644
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58801647
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58801661
7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
CID 58801667
N-(cyclopropylmethyl)-7-(2,6-dimethoxy-4-methylphenyl)-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 60155709

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol?
The IUPAC name of 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol (CID 58764319) is 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol?
The canonical SMILES for 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol is CCc1nn2c(-c3ccc(OC)cc3OC)cccc2c1N(CCCO)CCCF.
What is the InChIKey of 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol?
The InChIKey is NTTPPSUEFYMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-4-19-23(26(13-6-12-24)14-7-15-28)21-9-5-8-20(27(21)25-19)18-11-10-17(29-2)16-22(18)30-3/h5,8-11,16,28H,4,6-7,12-15H2,1-3H3.
What are the key properties of 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol?
3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol has a molecular weight of 415.51 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(2,4-dimethoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-(3-fluoropropyl)amino]propan-1-ol is sourced from PubChem (CID 58764319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).