5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide

C24H25F2N5O4 — CID 129248188

IUPAC5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C24H25F2N5O4/c1-34-19-7-5-14(25)10-17(19)24(33)29-11-13-4-6-16(18(26)9-13)21-20(23(28)32)22(27)31(30-21)15-3-2-8-35-12-15/h4-7,9-10,15H,2-3,8,11-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyZADBRSKODKUNDH-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.80
Rot. Bonds7

About 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide

5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide (PubChem CID 129248188) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
PubChem CID129248188
Molecular FormulaC24H25F2N5O4
Molecular Weight485.49 g/mol
Exact Mass485.19
IUPAC Name5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C24H25F2N5O4/c1-34-19-7-5-14(25)10-17(19)24(33)29-11-13-4-6-16(18(26)9-13)21-20(23(28)32)22(27)31(30-21)15-3-2-8-35-12-15/h4-7,9-10,15H,2-3,8,11-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyZADBRSKODKUNDH-UHFFFAOYSA-N
XLogP2.80
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide (CID 129248188) is 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1.
What is the InChIKey of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZADBRSKODKUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-34-19-7-5-14(25)10-17(19)24(33)29-11-13-4-6-16(18(26)9-13)21-20(23(28)32)22(27)31(30-21)15-3-2-8-35-12-15/h4-7,9-10,15H,2-3,8,11-12,27H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 129248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).