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

C24H25F2N5O3 — CID 148609350

IUPAC5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C24H25F2N5O3/c1-13-4-6-15(25)10-18(13)24(33)29-11-14-5-7-17(19(26)9-14)21-20(23(28)32)22(27)31(30-21)16-3-2-8-34-12-16/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyNEBCQBSPUGOHHE-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.10
Rot. Bonds6

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

5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide (PubChem CID 148609350) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
PubChem CID148609350
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C24H25F2N5O3/c1-13-4-6-15(25)10-18(13)24(33)29-11-14-5-7-17(19(26)9-14)21-20(23(28)32)22(27)31(30-21)16-3-2-8-34-12-16/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyNEBCQBSPUGOHHE-UHFFFAOYSA-N
XLogP3.10
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide (CID 148609350) is 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)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-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide is Cc1ccc(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-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
The InChIKey is NEBCQBSPUGOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-13-4-6-15(25)10-18(13)24(33)29-11-14-5-7-17(19(26)9-14)21-20(23(28)32)22(27)31(30-21)16-3-2-8-34-12-16/h4-7,9-10,16H,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-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide?
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 148609350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).