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

C26H30N4O2 — CID 50848743

IUPAC(2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-7-3-4-8-22(19)25(31)29-14-9-20(10-15-29)21-11-16-30-24(17-21)23(18-27-30)26(32)28-12-5-2-6-13-28/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15H2,1H3
InChIKeyJTKPAIQGBTUXIP-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.29
Rot. Bonds3

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

(2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848743) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848743
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-7-3-4-8-22(19)25(31)29-14-9-20(10-15-29)21-11-16-30-24(17-21)23(18-27-30)26(32)28-12-5-2-6-13-28/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15H2,1H3
InChIKeyJTKPAIQGBTUXIP-UHFFFAOYSA-N
XLogP4.29
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848743) is (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is JTKPAIQGBTUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-7-3-4-8-22(19)25(31)29-14-9-20(10-15-29)21-11-16-30-24(17-21)23(18-27-30)26(32)28-12-5-2-6-13-28/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15H2,1H3.
What are the key properties of (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).