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

C21H18F4N8O — CID 147886771

IUPAC2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N8O/c1-11(2)33-19(29-30-31-33)17-5-4-6-18(27-17)28-20(34)15-8-14(12(3)7-16(15)22)13-9-26-32(10-13)21(23,24)25/h4-11H,1-3H3,(H,27,28,34)
InChIKeyIBMHOGTWIPWWDI-UHFFFAOYSA-N
MW474.42 g/mol
LogP4.36
Rot. Bonds5

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

2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide (PubChem CID 147886771) has the molecular formula C21H18F4N8O and a molecular weight of 474.42 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
PubChem CID147886771
Molecular FormulaC21H18F4N8O
Molecular Weight474.42 g/mol
Exact Mass474.15
IUPAC Name2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N8O/c1-11(2)33-19(29-30-31-33)17-5-4-6-18(27-17)28-20(34)15-8-14(12(3)7-16(15)22)13-9-26-32(10-13)21(23,24)25/h4-11H,1-3H3,(H,27,28,34)
InChIKeyIBMHOGTWIPWWDI-UHFFFAOYSA-N
XLogP4.36
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 71245288
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CID 153572417
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CID 24884503
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CID 58945732
CID 58945732
CID 58063100
CID 58063100
CID 58379681
CID 58379681
CID 71735119
CID 71735119
CID 71735441
CID 71735441
CID 118394045
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CID 137634498
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CID 137639212
CID 137639212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide (CID 147886771) is 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
The InChIKey is IBMHOGTWIPWWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N8O/c1-11(2)33-19(29-30-31-33)17-5-4-6-18(27-17)28-20(34)15-8-14(12(3)7-16(15)22)13-9-26-32(10-13)21(23,24)25/h4-11H,1-3H3,(H,27,28,34).
What are the key properties of 2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide?
2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide has a molecular weight of 474.42 g/mol, XLogP of 4.36, 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-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 147886771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).