5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

C20H18F3N9O — CID 142472093

IUPAC5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N9O/c1-11(2)18-28-29-30-32(18)17-6-4-5-16(26-17)27-19(33)13-7-14(12(3)8-24-13)31-9-15(25-10-31)20(21,22)23/h4-11H,1-3H3,(H,26,27,33)
InChIKeyVQQROCJIFLZQQS-UHFFFAOYSA-N
MW457.42 g/mol
LogP3.34
Rot. Bonds5

About 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (PubChem CID 142472093) has the molecular formula C20H18F3N9O and a molecular weight of 457.42 g/mol. Its IUPAC name is 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
PubChem CID142472093
Molecular FormulaC20H18F3N9O
Molecular Weight457.42 g/mol
Exact Mass457.16
IUPAC Name5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N9O/c1-11(2)18-28-29-30-32(18)17-6-4-5-16(26-17)27-19(33)13-7-14(12(3)8-24-13)31-9-15(25-10-31)20(21,22)23/h4-11H,1-3H3,(H,26,27,33)
InChIKeyVQQROCJIFLZQQS-UHFFFAOYSA-N
XLogP3.34
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 148900718
bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
CID 164994002
N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
CID 174349810
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945206
5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
CID 158964942
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
CID 153183817
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
4-(4-cyclopropylimidazol-1-yl)-5-(4-methylpiperidin-1-yl)-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945194
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
CID 153359381
6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 157296522
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride
CID 159803739

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (CID 142472093) is 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The InChIKey is VQQROCJIFLZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N9O/c1-11(2)18-28-29-30-32(18)17-6-4-5-16(26-17)27-19(33)13-7-14(12(3)8-24-13)31-9-15(25-10-31)20(21,22)23/h4-11H,1-3H3,(H,26,27,33).
What are the key properties of 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide has a molecular weight of 457.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 142472093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).