4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide

C26H20F3N5O — CID 59261366

IUPAC4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccn2C)cc1-c1ccn2c(-c3cnccc3C(F)(F)F)ncc2c1
InChIInChI=1S/C26H20F3N5O/c1-16-5-6-18(25(35)32-23-4-3-10-33(23)2)13-20(16)17-8-11-34-19(12-17)14-31-24(34)21-15-30-9-7-22(21)26(27,28)29/h3-15H,1-2H3,(H,32,35)
InChIKeySATKQOOUBYMLQG-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.98
Rot. Bonds4

About 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide

4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide (PubChem CID 59261366) has the molecular formula C26H20F3N5O and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide
PubChem CID59261366
Molecular FormulaC26H20F3N5O
Molecular Weight475.47 g/mol
Exact Mass475.16
IUPAC Name4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccn2C)cc1-c1ccn2c(-c3cnccc3C(F)(F)F)ncc2c1
InChIInChI=1S/C26H20F3N5O/c1-16-5-6-18(25(35)32-23-4-3-10-33(23)2)13-20(16)17-8-11-34-19(12-17)14-31-24(34)21-15-30-9-7-22(21)26(27,28)29/h3-15H,1-2H3,(H,32,35)
InChIKeySATKQOOUBYMLQG-UHFFFAOYSA-N
XLogP5.98
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide?
The IUPAC name of 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide (CID 59261366) is 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide.
What is the SMILES notation for 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide?
The canonical SMILES for 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide is Cc1ccc(C(=O)Nc2cccn2C)cc1-c1ccn2c(-c3cnccc3C(F)(F)F)ncc2c1.
What is the InChIKey of 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide?
The InChIKey is SATKQOOUBYMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O/c1-16-5-6-18(25(35)32-23-4-3-10-33(23)2)13-20(16)17-8-11-34-19(12-17)14-31-24(34)21-15-30-9-7-22(21)26(27,28)29/h3-15H,1-2H3,(H,32,35).
What are the key properties of 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide?
4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide has a molecular weight of 475.47 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpyrrol-2-yl)-3-[3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 59261366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).