2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C23H24FN7O2 — CID 118312251

IUPAC2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4nc(CF)n(C)c4c3)c2)n1
InChIInChI=1S/C23H24FN7O2/c1-14(2)27-23(33)19-6-4-5-18(28-19)22(32)25-11-15-12-26-31(13-15)16-7-8-17-20(9-16)30(3)21(10-24)29-17/h4-9,12-14H,10-11H2,1-3H3,(H,25,32)(H,27,33)
InChIKeyROCFLKFAXOWDCF-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.69
Rot. Bonds7

About 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 118312251) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID118312251
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4nc(CF)n(C)c4c3)c2)n1
InChIInChI=1S/C23H24FN7O2/c1-14(2)27-23(33)19-6-4-5-18(28-19)22(32)25-11-15-12-26-31(13-15)16-7-8-17-20(9-16)30(3)21(10-24)29-17/h4-9,12-14H,10-11H2,1-3H3,(H,25,32)(H,27,33)
InChIKeyROCFLKFAXOWDCF-UHFFFAOYSA-N
XLogP2.69
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 118312251) is 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4nc(CF)n(C)c4c3)c2)n1.
What is the InChIKey of 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is ROCFLKFAXOWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-14(2)27-23(33)19-6-4-5-18(28-19)22(32)25-11-15-12-26-31(13-15)16-7-8-17-20(9-16)30(3)21(10-24)29-17/h4-9,12-14H,10-11H2,1-3H3,(H,25,32)(H,27,33).
What are the key properties of 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-[2-(fluoromethyl)-3-methylbenzimidazol-5-yl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 118312251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).