N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C22H22BrN5O3 — CID 155515061

IUPACN-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)NCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1COc1ccc(Br)cc1-2
InChIInChI=1S/C22H22BrN5O3/c1-14(29)24-9-10-28(12-16-5-3-4-8-25-16)22(30)20-18-13-31-19-7-6-15(23)11-17(19)21(18)27(2)26-20/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeyGFRDPGNGZLQWAR-UHFFFAOYSA-N
MW484.35 g/mol
LogP2.92
Rot. Bonds6

About N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155515061) has the molecular formula C22H22BrN5O3 and a molecular weight of 484.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID155515061
Molecular FormulaC22H22BrN5O3
Molecular Weight484.35 g/mol
Exact Mass483.09
IUPAC NameN-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)NCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1COc1ccc(Br)cc1-2
InChIInChI=1S/C22H22BrN5O3/c1-14(29)24-9-10-28(12-16-5-3-4-8-25-16)22(30)20-18-13-31-19-7-6-15(23)11-17(19)21(18)27(2)26-20/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeyGFRDPGNGZLQWAR-UHFFFAOYSA-N
XLogP2.92
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
4-[[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]methyl]-3-fluorobenzoic acid
CID 118063506
(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 167878216
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CID 113055158
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
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N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113067280
N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 155515061) is N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(=O)NCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1COc1ccc(Br)cc1-2.
What is the InChIKey of N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is GFRDPGNGZLQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O3/c1-14(29)24-9-10-28(12-16-5-3-4-8-25-16)22(30)20-18-13-31-19-7-6-15(23)11-17(19)21(18)27(2)26-20/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,29).
What are the key properties of N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155515061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).