2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

C26H30N4O2 — CID 50848498

IUPAC2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-6-2-3-7-21(19)17-25(31)28-13-8-20(9-14-28)22-10-15-30-24(16-22)23(18-27-30)26(32)29-11-4-5-12-29/h2-3,6-7,10,15-16,18,20H,4-5,8-9,11-14,17H2,1H3
InChIKeyTZROPVZUDPSQJJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 50848498) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID50848498
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-6-2-3-7-21(19)17-25(31)28-13-8-20(9-14-28)22-10-15-30-24(16-22)23(18-27-30)26(32)29-11-4-5-12-29/h2-3,6-7,10,15-16,18,20H,4-5,8-9,11-14,17H2,1H3
InChIKeyTZROPVZUDPSQJJ-UHFFFAOYSA-N
XLogP3.83
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (CID 50848498) is 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is TZROPVZUDPSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-6-2-3-7-21(19)17-25(31)28-13-8-20(9-14-28)22-10-15-30-24(16-22)23(18-27-30)26(32)29-11-4-5-12-29/h2-3,6-7,10,15-16,18,20H,4-5,8-9,11-14,17H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 430.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).