prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate

C21H27N5O4 — CID 166381631

IUPACprop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NCC(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C
InChIInChI=1S/C21H27N5O4/c1-4-10-30-20(29)23-13-18(27)22-12-14-11-17(21(14,2)3)25-19(28)15-6-5-9-26-16(15)7-8-24-26/h4-9,14,17H,1,10-13H2,2-3H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyRYRBBEWNUXBNOC-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.51
Rot. Bonds8

About prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate

prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate (PubChem CID 166381631) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
PubChem CID166381631
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Nameprop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NCC(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C
InChIInChI=1S/C21H27N5O4/c1-4-10-30-20(29)23-13-18(27)22-12-14-11-17(21(14,2)3)25-19(28)15-6-5-9-26-16(15)7-8-24-26/h4-9,14,17H,1,10-13H2,2-3H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyRYRBBEWNUXBNOC-UHFFFAOYSA-N
XLogP1.51
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381719
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-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381623
N-[3-[[(5-iodothiophene-3-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381608
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-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251070
N-(2-ethyl-2-methylcyclopropyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166259811
N-(2,2-dimethylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251877
N-[1-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166309589

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate (CID 166381631) is prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate is C=CCOC(=O)NCC(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C.
What is the InChIKey of prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate?
The InChIKey is RYRBBEWNUXBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-4-10-30-20(29)23-13-18(27)22-12-14-11-17(21(14,2)3)25-19(28)15-6-5-9-26-16(15)7-8-24-26/h4-9,14,17H,1,10-13H2,2-3H3,(H,22,27)(H,23,29)(H,25,28).
What are the key properties of prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate?
prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 413.48 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 166381631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).