1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C26H27ClF3N3O3 — CID 171931935

IUPAC1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26ClN3O.C2HF3O2/c1-23(2)16-10-11-24(3,14-16)22(23)27-21(29)20-26-19(15-7-6-8-17(25)13-15)18-9-4-5-12-28(18)20;3-2(4,5)1(6)7/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,27,29);(H,6,7)/t16-,22+,24+;/m1./s1
InChIKeyVZJFGOITSYHKHS-YELVDABOSA-N
MW521.97 g/mol
LogP6.23
Rot. Bonds3

About 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171931935) has the molecular formula C26H27ClF3N3O3 and a molecular weight of 521.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171931935
Molecular FormulaC26H27ClF3N3O3
Molecular Weight521.97 g/mol
Exact Mass521.17
IUPAC Name1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26ClN3O.C2HF3O2/c1-23(2)16-10-11-24(3,14-16)22(23)27-21(29)20-26-19(15-7-6-8-17(25)13-15)18-9-4-5-12-28(18)20;3-2(4,5)1(6)7/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,27,29);(H,6,7)/t16-,22+,24+;/m1./s1
InChIKeyVZJFGOITSYHKHS-YELVDABOSA-N
XLogP6.23
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.97
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171931935) is 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VZJFGOITSYHKHS-YELVDABOSA-N. The full InChI is InChI=1S/C24H26ClN3O.C2HF3O2/c1-23(2)16-10-11-24(3,14-16)22(23)27-21(29)20-26-19(15-7-6-8-17(25)13-15)18-9-4-5-12-28(18)20;3-2(4,5)1(6)7/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,27,29);(H,6,7)/t16-,22+,24+;/m1./s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 521.97 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171931935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).