8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C24H16ClFN4O3 — CID 10276501

IUPAC8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1COc1ccc(NC(=O)c3ccccc3Cl)cc1-2
InChIInChI=1S/C24H16ClFN4O3/c25-19-4-2-1-3-16(19)24(32)28-14-7-10-20-17(11-14)22-18(12-33-20)21(23(27)31)29-30(22)15-8-5-13(26)6-9-15/h1-11H,12H2,(H2,27,31)(H,28,32)
InChIKeyOCVBXPHNSIXDCK-UHFFFAOYSA-N
MW462.87 g/mol
LogP4.58
Rot. Bonds4

About 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 10276501) has the molecular formula C24H16ClFN4O3 and a molecular weight of 462.87 g/mol. Its IUPAC name is 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID10276501
Molecular FormulaC24H16ClFN4O3
Molecular Weight462.87 g/mol
Exact Mass462.09
IUPAC Name8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1COc1ccc(NC(=O)c3ccccc3Cl)cc1-2
InChIInChI=1S/C24H16ClFN4O3/c25-19-4-2-1-3-16(19)24(32)28-14-7-10-20-17(11-14)22-18(12-33-20)21(23(27)31)29-30(22)15-8-5-13(26)6-9-15/h1-11H,12H2,(H2,27,31)(H,28,32)
InChIKeyOCVBXPHNSIXDCK-UHFFFAOYSA-N
XLogP4.58
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 10276501) is 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c2c1COc1ccc(NC(=O)c3ccccc3Cl)cc1-2.
What is the InChIKey of 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is OCVBXPHNSIXDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O3/c25-19-4-2-1-3-16(19)24(32)28-14-7-10-20-17(11-14)22-18(12-33-20)21(23(27)31)29-30(22)15-8-5-13(26)6-9-15/h1-11H,12H2,(H2,27,31)(H,28,32).
What are the key properties of 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 462.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 10276501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).