N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C23H26N4O2 — CID 166381658

IUPACN-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C
InChIInChI=1S/C23H26N4O2/c1-15-7-4-5-8-17(15)21(28)24-14-16-13-20(23(16,2)3)26-22(29)18-9-6-12-27-19(18)10-11-25-27/h4-12,16,20H,13-14H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyUTZMBUZCCVUUGC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.22
Rot. Bonds5

About N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166381658) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID166381658
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C
InChIInChI=1S/C23H26N4O2/c1-15-7-4-5-8-17(15)21(28)24-14-16-13-20(23(16,2)3)26-22(29)18-9-6-12-27-19(18)10-11-25-27/h4-12,16,20H,13-14H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyUTZMBUZCCVUUGC-UHFFFAOYSA-N
XLogP3.22
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381671
N-[3-[[(2-aminopyrimidine-5-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381685
N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381719
N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide
CID 166381598
N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381699
N-[3-[[(5-iodothiophene-3-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381608
N-[3-[[(3-bromo-5-hydroxybenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381634
N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381623
N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381629
prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
CID 166381631
N-(2-ethyl-2-methylcyclopropyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166259811
N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166381715

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 166381658) is N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is Cc1ccccc1C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is UTZMBUZCCVUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-7-4-5-8-17(15)21(28)24-14-16-13-20(23(16,2)3)26-22(29)18-9-6-12-27-19(18)10-11-25-27/h4-12,16,20H,13-14H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166381658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).