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

C23H24FN5O4 — CID 164784429

IUPAC4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCOC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C23H24FN5O4/c1-32-18-7-4-15(24)10-17(18)23(31)27-11-13-2-5-16(6-3-13)29-21(22(26)30)19(25)20(28-29)14-8-9-33-12-14/h2-7,10,14H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31)
InChIKeyPBAGGLKGNWLQOX-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.13
Rot. Bonds7

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

4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide (PubChem CID 164784429) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
PubChem CID164784429
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCOC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C23H24FN5O4/c1-32-18-7-4-15(24)10-17(18)23(31)27-11-13-2-5-16(6-3-13)29-21(22(26)30)19(25)20(28-29)14-8-9-33-12-14/h2-7,10,14H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31)
InChIKeyPBAGGLKGNWLQOX-UHFFFAOYSA-N
XLogP2.13
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 165037096
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054
4-amino-3-(4,4-difluorocyclohexyl)-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 164996421
4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 164966091
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175750648
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 164784428
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164960405

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide (CID 164784429) is 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide is COc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCOC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide?
The InChIKey is PBAGGLKGNWLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-32-18-7-4-15(24)10-17(18)23(31)27-11-13-2-5-16(6-3-13)29-21(22(26)30)19(25)20(28-29)14-8-9-33-12-14/h2-7,10,14H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide?
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 164784429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).