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

C22H27ClFN3O2 — CID 58764301

IUPAC7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CCCF)CCOC
InChIInChI=1S/C22H27ClFN3O2/c1-4-19-22(26(12-6-11-24)13-14-28-2)21-8-5-7-20(27(21)25-19)17-10-9-16(29-3)15-18(17)23/h5,7-10,15H,4,6,11-14H2,1-3H3
InChIKeyRKVUAPRLKLJHNI-UHFFFAOYSA-N
MW419.93 g/mol
LogP5.04
Rot. Bonds10

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

7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58764301) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58764301
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC Name7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CCCF)CCOC
InChIInChI=1S/C22H27ClFN3O2/c1-4-19-22(26(12-6-11-24)13-14-28-2)21-8-5-7-20(27(21)25-19)17-10-9-16(29-3)15-18(17)23/h5,7-10,15H,4,6,11-14H2,1-3H3
InChIKeyRKVUAPRLKLJHNI-UHFFFAOYSA-N
XLogP5.04
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.93
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58764301) is 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine is CCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CCCF)CCOC.
What is the InChIKey of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is RKVUAPRLKLJHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O2/c1-4-19-22(26(12-6-11-24)13-14-28-2)21-8-5-7-20(27(21)25-19)17-10-9-16(29-3)15-18(17)23/h5,7-10,15H,4,6,11-14H2,1-3H3.
What are the key properties of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine?
7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 419.93 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N-(3-fluoropropyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58764301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).