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

C22H28ClN3O — CID 10200135

IUPAC7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCN(CCC)c1c(CC)nn2c(-c3ccc(OC)cc3Cl)cccc12
InChIInChI=1S/C22H28ClN3O/c1-5-13-25(14-6-2)22-19(7-3)24-26-20(9-8-10-21(22)26)17-12-11-16(27-4)15-18(17)23/h8-12,15H,5-7,13-14H2,1-4H3
InChIKeyDRWYUCDDLDWYEY-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.85
Rot. Bonds8

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

7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine (PubChem CID 10200135) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
PubChem CID10200135
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCN(CCC)c1c(CC)nn2c(-c3ccc(OC)cc3Cl)cccc12
InChIInChI=1S/C22H28ClN3O/c1-5-13-25(14-6-2)22-19(7-3)24-26-20(9-8-10-21(22)26)17-12-11-16(27-4)15-18(17)23/h8-12,15H,5-7,13-14H2,1-4H3
InChIKeyDRWYUCDDLDWYEY-UHFFFAOYSA-N
XLogP5.85
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.85
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)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine (CID 10200135) is 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine is CCCN(CCC)c1c(CC)nn2c(-c3ccc(OC)cc3Cl)cccc12.
What is the InChIKey of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is DRWYUCDDLDWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-5-13-25(14-6-2)22-19(7-3)24-26-20(9-8-10-21(22)26)17-12-11-16(27-4)15-18(17)23/h8-12,15H,5-7,13-14H2,1-4H3.
What are the key properties of 7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine?
7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 385.94 g/mol, XLogP of 5.85, 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)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 10200135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).