1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one

C22H30N4O2 — CID 50848813

IUPAC1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-21(27)24-11-6-17(7-12-24)18-8-13-26-20(14-18)19(15-23-26)22(28)25-9-4-16(2)5-10-25/h8,13-17H,3-7,9-12H2,1-2H3
InChIKeyRTYDSRJSQUEUTK-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one

1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 50848813) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
PubChem CID50848813
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-21(27)24-11-6-17(7-12-24)18-8-13-26-20(14-18)19(15-23-26)22(28)25-9-4-16(2)5-10-25/h8,13-17H,3-7,9-12H2,1-2H3
InChIKeyRTYDSRJSQUEUTK-UHFFFAOYSA-N
XLogP3.32
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one (CID 50848813) is 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1.
What is the InChIKey of 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is RTYDSRJSQUEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-21(27)24-11-6-17(7-12-24)18-8-13-26-20(14-18)19(15-23-26)22(28)25-9-4-16(2)5-10-25/h8,13-17H,3-7,9-12H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one?
1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 50848813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).