2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide

C26H30N4O2 — CID 90029523

IUPAC2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccn4nccc4c3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C26H30N4O2/c1-17-14-23(19-4-3-5-19)24(25(31)27-2)16-22(17)26(32)29-11-7-18(8-12-29)20-9-13-30-21(15-20)6-10-28-30/h6,9-10,13-16,18-19H,3-5,7-8,11-12H2,1-2H3,(H,27,31)
InChIKeyYSUJIOKKUBCBKW-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide

2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide (PubChem CID 90029523) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide
PubChem CID90029523
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccn4nccc4c3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C26H30N4O2/c1-17-14-23(19-4-3-5-19)24(25(31)27-2)16-22(17)26(32)29-11-7-18(8-12-29)20-9-13-30-21(15-20)6-10-28-30/h6,9-10,13-16,18-19H,3-5,7-8,11-12H2,1-2H3,(H,27,31)
InChIKeyYSUJIOKKUBCBKW-UHFFFAOYSA-N
XLogP4.29
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide?
The IUPAC name of 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide (CID 90029523) is 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide is CNC(=O)c1cc(C(=O)N2CCC(c3ccn4nccc4c3)CC2)c(C)cc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide?
The InChIKey is YSUJIOKKUBCBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-14-23(19-4-3-5-19)24(25(31)27-2)16-22(17)26(32)29-11-7-18(8-12-29)20-9-13-30-21(15-20)6-10-28-30/h6,9-10,13-16,18-19H,3-5,7-8,11-12H2,1-2H3,(H,27,31).
What are the key properties of 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide?
2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N,4-dimethyl-5-(4-pyrazolo[1,5-a]pyridin-5-ylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 90029523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).