1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

C24H19FN6O — CID 97447409

IUPAC1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cn1
InChIInChI=1S/C24H19FN6O/c1-16-12-27-20(13-26-16)14-28-24(32)22-9-10-31(29-22)23-8-7-21-6-5-18(15-30(21)23)17-3-2-4-19(25)11-17/h2-13,15H,14H2,1H3,(H,28,32)
InChIKeyBOKAXNDZKATXNN-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.96
Rot. Bonds5

About 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 97447409) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID97447409
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cn1
InChIInChI=1S/C24H19FN6O/c1-16-12-27-20(13-26-16)14-28-24(32)22-9-10-31(29-22)23-8-7-21-6-5-18(15-30(21)23)17-3-2-4-19(25)11-17/h2-13,15H,14H2,1H3,(H,28,32)
InChIKeyBOKAXNDZKATXNN-UHFFFAOYSA-N
XLogP3.96
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3-fluorophenyl)indolizin-3-yl]-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362146
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 97447411
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362163
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362006
4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 97443166
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (CID 97447409) is 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cn1.
What is the InChIKey of 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is BOKAXNDZKATXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-16-12-27-20(13-26-16)14-28-24(32)22-9-10-31(29-22)23-8-7-21-6-5-18(15-30(21)23)17-3-2-4-19(25)11-17/h2-13,15H,14H2,1H3,(H,28,32).
What are the key properties of 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 97447409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).