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

C23H25F2N5O3 — CID 138597210

IUPAC5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C23H25F2N5O3/c1-32-19-5-4-15(24)11-18(19)28-12-14-3-2-13(10-17(14)25)21-20(23(27)31)22(26)30(29-21)16-6-8-33-9-7-16/h2-5,10-11,16,28H,6-9,12,26H2,1H3,(H2,27,31)
InChIKeyZYVZEWFLTVADSH-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.48
Rot. Bonds7

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

5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 138597210) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID138597210
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C23H25F2N5O3/c1-32-19-5-4-15(24)11-18(19)28-12-14-3-2-13(10-17(14)25)21-20(23(27)31)22(26)30(29-21)16-6-8-33-9-7-16/h2-5,10-11,16,28H,6-9,12,26H2,1H3,(H2,27,31)
InChIKeyZYVZEWFLTVADSH-UHFFFAOYSA-N
XLogP3.48
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pirtobrutinib
CID 129269915
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CID 74222427
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73774633
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983721
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[(E)-4-fluorobut-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 74222513
5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazole-4-carboxamide
CID 90118961
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(2-methylacryloyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 90119070
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(2-fluoroacryloyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 90119255
5-amino-1-{(3R)-1-[(2E)-but-2-enoyl]piperidin-3-yl}-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 90136268
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-{(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]piperidin-3-yl}-1H-pyrazole-4-carboxamide
CID 90136348
US10266513, Example 43
CID 90118667

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 138597210) is 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is COc1ccc(F)cc1NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)cc1F.
What is the InChIKey of 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is ZYVZEWFLTVADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-32-19-5-4-15(24)11-18(19)28-12-14-3-2-13(10-17(14)25)21-20(23(27)31)22(26)30(29-21)16-6-8-33-9-7-16/h2-5,10-11,16,28H,6-9,12,26H2,1H3,(H2,27,31).
What are the key properties of 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-fluoro-4-[(5-fluoro-2-methoxyanilino)methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138597210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).