1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H21F3N4O2 — CID 109072528

IUPAC1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)n2c1CCCC2
InChIInChI=1S/C19H21F3N4O2/c1-11(2)23-17(27)15-14-5-3-4-10-26(14)16(25-15)18(28)24-13-8-6-12(7-9-13)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyMWWPHVKJIAMEMC-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.63
Rot. Bonds4

About 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072528) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072528
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)n2c1CCCC2
InChIInChI=1S/C19H21F3N4O2/c1-11(2)23-17(27)15-14-5-3-4-10-26(14)16(25-15)18(28)24-13-8-6-12(7-9-13)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyMWWPHVKJIAMEMC-UHFFFAOYSA-N
XLogP3.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-propan-2-yl-1-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072681
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
3-N-(3-methoxyphenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072516
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072521
3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076819
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072685
3-N-butan-2-yl-1-N-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074026
1-N-butan-2-yl-3-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073922
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072528) is 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)NC(=O)c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)n2c1CCCC2.
What is the InChIKey of 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MWWPHVKJIAMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11(2)23-17(27)15-14-5-3-4-10-26(14)16(25-15)18(28)24-13-8-6-12(7-9-13)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).