N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide

C21H25N5O3 — CID 166381598

IUPACN-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CC(NC(=O)c3cccn4nccc34)C2(C)C)co1
InChIInChI=1S/C21H25N5O3/c1-4-18-24-15(12-29-18)20(28)22-11-13-10-17(21(13,2)3)25-19(27)14-6-5-9-26-16(14)7-8-23-26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,22,28)(H,25,27)
InChIKeyPVXOXUIVOXCZER-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.46
Rot. Bonds6

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

N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 166381598) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide
PubChem CID166381598
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CC(NC(=O)c3cccn4nccc34)C2(C)C)co1
InChIInChI=1S/C21H25N5O3/c1-4-18-24-15(12-29-18)20(28)22-11-13-10-17(21(13,2)3)25-19(27)14-6-5-9-26-16(14)7-8-23-26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,22,28)(H,25,27)
InChIKeyPVXOXUIVOXCZER-UHFFFAOYSA-N
XLogP2.46
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,2-dimethyl-3-[[(2-methylbenzoyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381658
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-[[(3-bromo-5-hydroxybenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381634
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-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381623
N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381719
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-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166381715
N-(2-ethyl-2-methylcyclopropyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166259811

Frequently Asked Questions

What is the IUPAC name of N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide (CID 166381598) is N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)NCC2CC(NC(=O)c3cccn4nccc34)C2(C)C)co1.
What is the InChIKey of N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is PVXOXUIVOXCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-18-24-15(12-29-18)20(28)22-11-13-10-17(21(13,2)3)25-19(27)14-6-5-9-26-16(14)7-8-23-26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,22,28)(H,25,27).
What are the key properties of N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methyl]-2-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166381598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).