N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C26H25FN4O4 — CID 121365133

IUPACN-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F
InChIInChI=1S/C26H25FN4O4/c1-35-17-22-21(26(34)28-13-20-5-4-6-23(32)25(20)27)16-31(29-22)15-19-10-8-18(9-11-19)14-30-12-3-2-7-24(30)33/h2-12,16,32H,13-15,17H2,1H3,(H,28,34)
InChIKeyJFAWWGDJBCGIDJ-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.06
Rot. Bonds9

About N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365133) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121365133
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F
InChIInChI=1S/C26H25FN4O4/c1-35-17-22-21(26(34)28-13-20-5-4-6-23(32)25(20)27)16-31(29-22)15-19-10-8-18(9-11-19)14-30-12-3-2-7-24(30)33/h2-12,16,32H,13-15,17H2,1H3,(H,28,34)
InChIKeyJFAWWGDJBCGIDJ-UHFFFAOYSA-N
XLogP3.06
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]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

Sebetralstat
CID 121365142
Feniralstat
CID 139301832
Kallikrein-IN-1
CID 121365006
US10364238, Example 132
CID 121365023
US10364238, Example 64
CID 121365036
US10364238, Example 53
CID 121365056
US10364238, Example 66
CID 121365096
US10364238, Example 54
CID 121365119
US10364238, Example 52
CID 121365123
US11001578, Example 99
CID 121365144
US10364238, Example 42
CID 121365159
US11180484, Example 31
CID 139301821

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 121365133) is N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F.
What is the InChIKey of N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JFAWWGDJBCGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-35-17-22-21(26(34)28-13-20-5-4-6-23(32)25(20)27)16-31(29-22)15-19-10-8-18(9-11-19)14-30-12-3-2-7-24(30)33/h2-12,16,32H,13-15,17H2,1H3,(H,28,34).
What are the key properties of N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-hydroxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).