3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide

C23H19FN6O2 — CID 118146984

IUPAC3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(F)c4)cn3)c2)cn1
InChIInChI=1S/C23H19FN6O2/c1-15-8-9-19(12-25-15)27-22(31)16-4-2-7-21(10-16)30-14-20(13-26-30)29-23(32)28-18-6-3-5-17(24)11-18/h2-14H,1H3,(H,27,31)(H2,28,29,32)
InChIKeyHMLQTEJXWLWZJQ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.61
Rot. Bonds5

About 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide

3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide (PubChem CID 118146984) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
PubChem CID118146984
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(F)c4)cn3)c2)cn1
InChIInChI=1S/C23H19FN6O2/c1-15-8-9-19(12-25-15)27-22(31)16-4-2-7-21(10-16)30-14-20(13-26-30)29-23(32)28-18-6-3-5-17(24)11-18/h2-14H,1H3,(H,27,31)(H2,28,29,32)
InChIKeyHMLQTEJXWLWZJQ-UHFFFAOYSA-N
XLogP4.61
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Takeda103A
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4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide (CID 118146984) is 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(F)c4)cn3)c2)cn1.
What is the InChIKey of 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide?
The InChIKey is HMLQTEJXWLWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-15-8-9-19(12-25-15)27-22(31)16-4-2-7-21(10-16)30-14-20(13-26-30)29-23(32)28-18-6-3-5-17(24)11-18/h2-14H,1H3,(H,27,31)(H2,28,29,32).
What are the key properties of 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide?
3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide has a molecular weight of 430.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 118146984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).