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

C27H32N4O2 — CID 50849037

IUPAC2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C27H32N4O2/c1-20-7-3-4-8-22(20)18-26(32)29-14-9-21(10-15-29)23-11-16-31-25(17-23)24(19-28-31)27(33)30-12-5-2-6-13-30/h3-4,7-8,11,16-17,19,21H,2,5-6,9-10,12-15,18H2,1H3
InChIKeyNGYLGHVTQGNWOY-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.22
Rot. Bonds4

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

2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 50849037) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID50849037
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C27H32N4O2/c1-20-7-3-4-8-22(20)18-26(32)29-14-9-21(10-15-29)23-11-16-31-25(17-23)24(19-28-31)27(33)30-12-5-2-6-13-30/h3-4,7-8,11,16-17,19,21H,2,5-6,9-10,12-15,18H2,1H3
InChIKeyNGYLGHVTQGNWOY-UHFFFAOYSA-N
XLogP4.22
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.22
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-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (CID 50849037) is 2-(2-methylphenyl)-1-[4-[3-(piperidine-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-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is NGYLGHVTQGNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-20-7-3-4-8-22(20)18-26(32)29-14-9-21(10-15-29)23-11-16-31-25(17-23)24(19-28-31)27(33)30-12-5-2-6-13-30/h3-4,7-8,11,16-17,19,21H,2,5-6,9-10,12-15,18H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 444.58 g/mol, XLogP of 4.22, 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-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50849037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).