2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

C22H24N8O2 — CID 153053949

IUPAC2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1
InChIInChI=1S/C22H24N8O2/c1-13(2)30-21(26-27-28-30)18-7-6-8-20(24-18)25-22(31)17-10-16(14(3)9-19(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31)
InChIKeyVICOFGPDSVKEGQ-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.29
Rot. Bonds6

About 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 153053949) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID153053949
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1
InChIInChI=1S/C22H24N8O2/c1-13(2)30-21(26-27-28-30)18-7-6-8-20(24-18)25-22(31)17-10-16(14(3)9-19(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31)
InChIKeyVICOFGPDSVKEGQ-UHFFFAOYSA-N
XLogP3.29
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(7-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)-2-((3-fluorobenzyl)oxy)benzamide
CID 137636872
N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137797033
4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
CID 131955125
15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-2-methyl-3H-isoindol-1-one
CID 102593934
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
4-methoxy-6-methyl-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145994100
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 153053949) is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1.
What is the InChIKey of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is VICOFGPDSVKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-13(2)30-21(26-27-28-30)18-7-6-8-20(24-18)25-22(31)17-10-16(14(3)9-19(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31).
What are the key properties of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 432.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 153053949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).