N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C19H21F3N4O2 — CID 75472741

IUPACN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)C2CCn3c(cnc3C(F)(F)F)C2)c1
InChIInChI=1S/C19H21F3N4O2/c1-12-3-2-4-14(9-12)25(8-6-16(23)27)17(28)13-5-7-26-15(10-13)11-24-18(26)19(20,21)22/h2-4,9,11,13H,5-8,10H2,1H3,(H2,23,27)
InChIKeyYMQUKPLWYXTSFR-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.68
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472741) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472741
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)C2CCn3c(cnc3C(F)(F)F)C2)c1
InChIInChI=1S/C19H21F3N4O2/c1-12-3-2-4-14(9-12)25(8-6-16(23)27)17(28)13-5-7-26-15(10-13)11-24-18(26)19(20,21)22/h2-4,9,11,13H,5-8,10H2,1H3,(H2,23,27)
InChIKeyYMQUKPLWYXTSFR-UHFFFAOYSA-N
XLogP2.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472741) is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is Cc1cccc(N(CCC(N)=O)C(=O)C2CCn3c(cnc3C(F)(F)F)C2)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is YMQUKPLWYXTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12-3-2-4-14(9-12)25(8-6-16(23)27)17(28)13-5-7-26-15(10-13)11-24-18(26)19(20,21)22/h2-4,9,11,13H,5-8,10H2,1H3,(H2,23,27).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).