N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C17H21F3N4O2 — CID 154845348

IUPACN-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESNC(=O)C1CC2CC(NC(=O)c3nc(C(F)(F)F)n4c3CCCC4)C2C1
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)16-23-13(12-3-1-2-4-24(12)16)15(26)22-11-7-8-5-9(14(21)25)6-10(8)11/h8-11H,1-7H2,(H2,21,25)(H,22,26)
InChIKeyOWFARSKCNKSAOA-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.87
Rot. Bonds3

About N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154845348) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154845348
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESNC(=O)C1CC2CC(NC(=O)c3nc(C(F)(F)F)n4c3CCCC4)C2C1
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)16-23-13(12-3-1-2-4-24(12)16)15(26)22-11-7-8-5-9(14(21)25)6-10(8)11/h8-11H,1-7H2,(H2,21,25)(H,22,26)
InChIKeyOWFARSKCNKSAOA-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154845348) is N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is NC(=O)C1CC2CC(NC(=O)c3nc(C(F)(F)F)n4c3CCCC4)C2C1.
What is the InChIKey of N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OWFARSKCNKSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c18-17(19,20)16-23-13(12-3-1-2-4-24(12)16)15(26)22-11-7-8-5-9(14(21)25)6-10(8)11/h8-11H,1-7H2,(H2,21,25)(H,22,26).
What are the key properties of N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154845348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).