1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C24H28FN3O — CID 90965670

IUPAC1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)C1NC(c2ccc(F)cc2)=C2C=CC=CN21
InChIInChI=1S/C24H28FN3O/c1-23(2)16-11-12-24(3,14-16)22(23)27-21(29)20-26-19(15-7-9-17(25)10-8-15)18-6-4-5-13-28(18)20/h4-10,13,16,20,22,26H,11-12,14H2,1-3H3,(H,27,29)/t16-,20?,22+,24+/m1/s1
InChIKeyVPHRWJGHVGTUBB-QSHVLJBJSA-N
MW393.51 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 90965670) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID90965670
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)C1NC(c2ccc(F)cc2)=C2C=CC=CN21
InChIInChI=1S/C24H28FN3O/c1-23(2)16-11-12-24(3,14-16)22(23)27-21(29)20-26-19(15-7-9-17(25)10-8-15)18-6-4-5-13-28(18)20/h4-10,13,16,20,22,26H,11-12,14H2,1-3H3,(H,27,29)/t16-,20?,22+,24+/m1/s1
InChIKeyVPHRWJGHVGTUBB-QSHVLJBJSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 90965670) is 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)C1NC(c2ccc(F)cc2)=C2C=CC=CN21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VPHRWJGHVGTUBB-QSHVLJBJSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-23(2)16-11-12-24(3,14-16)22(23)27-21(29)20-26-19(15-7-9-17(25)10-8-15)18-6-4-5-13-28(18)20/h4-10,13,16,20,22,26H,11-12,14H2,1-3H3,(H,27,29)/t16-,20?,22+,24+/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90965670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).