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

C21H21FN8O — CID 159186223

IUPAC2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1
InChIInChI=1S/C21H21FN8O/c1-12(2)30-20(26-27-28-30)18-6-5-7-19(24-18)25-21(31)16-9-15(13(3)8-17(16)22)14-10-23-29(4)11-14/h5-12H,1-4H3,(H,24,25,31)
InChIKeyQDDNSKIFRNDRGX-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.42
Rot. Bonds5

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

2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 159186223) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID159186223
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC Name2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1
InChIInChI=1S/C21H21FN8O/c1-12(2)30-20(26-27-28-30)18-6-5-7-19(24-18)25-21(31)16-9-15(13(3)8-17(16)22)14-10-23-29(4)11-14/h5-12H,1-4H3,(H,24,25,31)
InChIKeyQDDNSKIFRNDRGX-UHFFFAOYSA-N
XLogP3.42
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-2-fluoro-4-methylbenzoic acid;5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methylbenzoic acid;bis(5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide)
CID 165005733
2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 153276703
2-(butylamino)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
CID 138507421
benzyl 6-fluoro-1-methyl-7-[[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 135388394
2-methoxyethyl 6-fluoro-7-[[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146604380
5-bromo-2-fluoro-4-methylbenzoic acid;(5-bromo-2-fluoro-4-methylphenyl)methanol;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 159722539
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
5-bromo-2-fluoro-4-methylbenzoic acid;4-bromo-5-methylpyridine-2-carboxylic acid;2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 158635510
3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 159068821
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(hydroxymethyl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]benzamide
CID 135376044
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
CID 153183817
6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 157296522

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 159186223) is 2-fluoro-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-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1.
What is the InChIKey of 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is QDDNSKIFRNDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O/c1-12(2)30-20(26-27-28-30)18-6-5-7-19(24-18)25-21(31)16-9-15(13(3)8-17(16)22)14-10-23-29(4)11-14/h5-12H,1-4H3,(H,24,25,31).
What are the key properties of 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 420.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159186223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).