1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

C22H23ClN4O2 — CID 58764325

IUPAC1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N1CC=C(C(N)=O)CC1
InChIInChI=1S/C22H23ClN4O2/c1-3-18-21(26-11-9-14(10-12-26)22(24)28)20-6-4-5-19(27(20)25-18)16-8-7-15(29-2)13-17(16)23/h4-9,13H,3,10-12H2,1-2H3,(H2,24,28)
InChIKeyJYTXOFGMAVHRJT-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.85
Rot. Bonds5

About 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 58764325) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID58764325
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N1CC=C(C(N)=O)CC1
InChIInChI=1S/C22H23ClN4O2/c1-3-18-21(26-11-9-14(10-12-26)22(24)28)20-6-4-5-19(27(20)25-18)16-8-7-15(29-2)13-17(16)23/h4-9,13H,3,10-12H2,1-2H3,(H2,24,28)
InChIKeyJYTXOFGMAVHRJT-UHFFFAOYSA-N
XLogP3.85
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 58764325) is 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide is CCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N1CC=C(C(N)=O)CC1.
What is the InChIKey of 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is JYTXOFGMAVHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-3-18-21(26-11-9-14(10-12-26)22(24)28)20-6-4-5-19(27(20)25-18)16-8-7-15(29-2)13-17(16)23/h4-9,13H,3,10-12H2,1-2H3,(H2,24,28).
What are the key properties of 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-chloro-4-methoxyphenyl)-2-ethylpyrazolo[1,5-a]pyridin-3-yl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 58764325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).