4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide

C22H19FN6O — CID 97443166

IUPAC4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)cn1
InChIInChI=1S/C22H19FN6O/c1-14-8-25-19(11-24-14)12-28-22(30)20-7-16(13-29(20)2)17-9-26-21(27-10-17)15-4-3-5-18(23)6-15/h3-11,13H,12H2,1-2H3,(H,28,30)
InChIKeyBKMLQFPQKJQRRJ-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.32
Rot. Bonds5

About 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide

4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 97443166) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID97443166
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)cn1
InChIInChI=1S/C22H19FN6O/c1-14-8-25-19(11-24-14)12-28-22(30)20-7-16(13-29(20)2)17-9-26-21(27-10-17)15-4-3-5-18(23)6-15/h3-11,13H,12H2,1-2H3,(H,28,30)
InChIKeyBKMLQFPQKJQRRJ-UHFFFAOYSA-N
XLogP3.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
CID 131660689
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 97447409
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 143770975
4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 62847324
4-(2-anilinopyrimidin-5-yl)-N-[(2,4-difluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 97361620
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 50950516
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide (CID 97443166) is 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide is Cc1cnc(CNC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)cn1.
What is the InChIKey of 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is BKMLQFPQKJQRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-14-8-25-19(11-24-14)12-28-22(30)20-7-16(13-29(20)2)17-9-26-21(27-10-17)15-4-3-5-18(23)6-15/h3-11,13H,12H2,1-2H3,(H,28,30).
What are the key properties of 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 97443166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).