N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide

C24H21N3O3 — CID 110236813

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H21N3O3/c28-21-13-23(30-22-12-5-4-9-17(21)22)24(29)26-19-10-6-11-20-18(19)14-25-27(20)15-16-7-2-1-3-8-16/h1-5,7-9,12-14,19H,6,10-11,15H2,(H,26,29)
InChIKeyPTOQKLQNXTWWQO-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.85
Rot. Bonds4

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide (PubChem CID 110236813) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
PubChem CID110236813
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H21N3O3/c28-21-13-23(30-22-12-5-4-9-17(21)22)24(29)26-19-10-6-11-20-18(19)14-25-27(20)15-16-7-2-1-3-8-16/h1-5,7-9,12-14,19H,6,10-11,15H2,(H,26,29)
InChIKeyPTOQKLQNXTWWQO-UHFFFAOYSA-N
XLogP3.85
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
CID 167848496
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide (CID 110236813) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide?
The InChIKey is PTOQKLQNXTWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-21-13-23(30-22-12-5-4-9-17(21)22)24(29)26-19-10-6-11-20-18(19)14-25-27(20)15-16-7-2-1-3-8-16/h1-5,7-9,12-14,19H,6,10-11,15H2,(H,26,29).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 110236813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).