N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C22H24BrN5O2 — CID 166381719

IUPACN-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)cc2N)CC1NC(=O)c1cccn2nccc12
InChIInChI=1S/C22H24BrN5O2/c1-22(2)13(12-25-20(29)15-6-5-14(23)11-17(15)24)10-19(22)27-21(30)16-4-3-9-28-18(16)7-8-26-28/h3-9,11,13,19H,10,12,24H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyXFEPDNXRFUNKIA-UHFFFAOYSA-N
MW470.37 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166381719) has the molecular formula C22H24BrN5O2 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID166381719
Molecular FormulaC22H24BrN5O2
Molecular Weight470.37 g/mol
Exact Mass469.11
IUPAC NameN-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)cc2N)CC1NC(=O)c1cccn2nccc12
InChIInChI=1S/C22H24BrN5O2/c1-22(2)13(12-25-20(29)15-6-5-14(23)11-17(15)24)10-19(22)27-21(30)16-4-3-9-28-18(16)7-8-26-28/h3-9,11,13,19H,10,12,24H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyXFEPDNXRFUNKIA-UHFFFAOYSA-N
XLogP3.25
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-[3-[[(3-bromo-5-hydroxybenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381634
N-[3-[[(2-aminopyrimidine-5-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381685
N-[2,2-dimethyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381671
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-(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
prop-2-enyl N-[2-[[2,2-dimethyl-3-(pyrazolo[1,5-a]pyridine-4-carbonylamino)cyclobutyl]methylamino]-2-oxoethyl]carbamate
CID 166381631
N-[3-[[(6-chloro-4-oxo-1H-pyridine-2-carbonyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381629
N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166381623
N-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251070
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-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 166381719) is N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is CC1(C)C(CNC(=O)c2ccc(Br)cc2N)CC1NC(=O)c1cccn2nccc12.
What is the InChIKey of N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is XFEPDNXRFUNKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O2/c1-22(2)13(12-25-20(29)15-6-5-14(23)11-17(15)24)10-19(22)27-21(30)16-4-3-9-28-18(16)7-8-26-28/h3-9,11,13,19H,10,12,24H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-4-bromobenzoyl)amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166381719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).