N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide

C24H24ClF3N4O2 — CID 118202592

IUPACN-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(NCc1ccnc(Cl)c1)N1CC2(CCN(C(=O)C(F)(F)F)CC2)c2cc3c(cc21)CCC3
InChIInChI=1S/C24H24ClF3N4O2/c25-20-10-15(4-7-29-20)13-30-22(34)32-14-23(5-8-31(9-6-23)21(33)24(26,27)28)18-11-16-2-1-3-17(16)12-19(18)32/h4,7,10-12H,1-3,5-6,8-9,13-14H2,(H,30,34)
InChIKeyLCIRPWXZMFITSZ-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.38
Rot. Bonds2

About N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide

N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide (PubChem CID 118202592) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide
PubChem CID118202592
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(NCc1ccnc(Cl)c1)N1CC2(CCN(C(=O)C(F)(F)F)CC2)c2cc3c(cc21)CCC3
InChIInChI=1S/C24H24ClF3N4O2/c25-20-10-15(4-7-29-20)13-30-22(34)32-14-23(5-8-31(9-6-23)21(33)24(26,27)28)18-11-16-2-1-3-17(16)12-19(18)32/h4,7,10-12H,1-3,5-6,8-9,13-14H2,(H,30,34)
InChIKeyLCIRPWXZMFITSZ-UHFFFAOYSA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide (CID 118202592) is N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide is O=C(NCc1ccnc(Cl)c1)N1CC2(CCN(C(=O)C(F)(F)F)CC2)c2cc3c(cc21)CCC3.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is LCIRPWXZMFITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c25-20-10-15(4-7-29-20)13-30-22(34)32-14-23(5-8-31(9-6-23)21(33)24(26,27)28)18-11-16-2-1-3-17(16)12-19(18)32/h4,7,10-12H,1-3,5-6,8-9,13-14H2,(H,30,34).
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide?
N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-1'-(2,2,2-trifluoroacetyl)spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 118202592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).