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

C24H22FN5O3 — CID 121365044

IUPAC3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F
InChIInChI=1S/C24H22FN5O3/c25-22-18(4-3-5-20(22)31)12-27-24(33)19-15-30(28-23(19)26)14-17-9-7-16(8-10-17)13-29-11-2-1-6-21(29)32/h1-11,15,31H,12-14H2,(H2,26,28)(H,27,33)
InChIKeyOOXKEXDZGXUAST-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.50
Rot. Bonds7

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

3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365044) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121365044
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F
InChIInChI=1S/C24H22FN5O3/c25-22-18(4-3-5-20(22)31)12-27-24(33)19-15-30(28-23(19)26)14-17-9-7-16(8-10-17)13-29-11-2-1-6-21(29)32/h1-11,15,31H,12-14H2,(H2,26,28)(H,27,33)
InChIKeyOOXKEXDZGXUAST-UHFFFAOYSA-N
XLogP2.50
TPSA115.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

US10364238, Example 129
CID 121365133
US10364238, Example 59
CID 121365158
US11731943, Example 191
CID 132088128
US11731943, Example 195
CID 132088629
US11731943, Example 206
CID 132100786
US11731943, Example 208
CID 132100787
US11731943, Example 207
CID 132100788
US11731943, Example 139
CID 132101100
US11731943, Example 284
CID 132101313
US11731943, Example 285
CID 132101314
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168284570
N-[(3-methoxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168296905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 121365044) is 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F.
What is the InChIKey of 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is OOXKEXDZGXUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c25-22-18(4-3-5-20(22)31)12-27-24(33)19-15-30(28-23(19)26)14-17-9-7-16(8-10-17)13-29-11-2-1-6-21(29)32/h1-11,15,31H,12-14H2,(H2,26,28)(H,27,33).
What are the key properties of 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-fluoro-3-hydroxyphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).