7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine

C21H25ClFN3O — CID 58764333

IUPAC7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CC)CCCF
InChIInChI=1S/C21H25ClFN3O/c1-4-18-21(25(5-2)13-7-12-23)20-9-6-8-19(26(20)24-18)16-11-10-15(27-3)14-17(16)22/h6,8-11,14H,4-5,7,12-13H2,1-3H3
InChIKeyWIABMFMGBCXVNA-UHFFFAOYSA-N
MW389.90 g/mol
LogP5.41
Rot. Bonds8

About 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine

7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58764333) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58764333
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CC)CCCF
InChIInChI=1S/C21H25ClFN3O/c1-4-18-21(25(5-2)13-7-12-23)20-9-6-8-19(26(20)24-18)16-11-10-15(27-3)14-17(16)22/h6,8-11,14H,4-5,7,12-13H2,1-3H3
InChIKeyWIABMFMGBCXVNA-UHFFFAOYSA-N
XLogP5.41
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58764333) is 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine is CCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CC)CCCF.
What is the InChIKey of 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is WIABMFMGBCXVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-4-18-21(25(5-2)13-7-12-23)20-9-6-8-19(26(20)24-18)16-11-10-15(27-3)14-17(16)22/h6,8-11,14H,4-5,7,12-13H2,1-3H3.
What are the key properties of 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine?
7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 389.90 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methoxyphenyl)-N,2-diethyl-N-(3-fluoropropyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).