N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide

C17H14FN3O — CID 123804948

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide
SMILESO=C(NC1(c2ccccc2F)CC1)c1ccc2n3n(cc1-2)C3
InChIInChI=1S/C17H14FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)19-16(22)11-5-6-15-12(11)9-20-10-21(15)20/h1-6,9H,7-8,10H2,(H,19,22)
InChIKeyRIPPZVKIBZABEG-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide

N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide (PubChem CID 123804948) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide
PubChem CID123804948
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide
SMILESO=C(NC1(c2ccccc2F)CC1)c1ccc2n3n(cc1-2)C3
InChIInChI=1S/C17H14FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)19-16(22)11-5-6-15-12(11)9-20-10-21(15)20/h1-6,9H,7-8,10H2,(H,19,22)
InChIKeyRIPPZVKIBZABEG-UHFFFAOYSA-N
XLogP2.77
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide (CID 123804948) is N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide is O=C(NC1(c2ccccc2F)CC1)c1ccc2n3n(cc1-2)C3.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide?
The InChIKey is RIPPZVKIBZABEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)19-16(22)11-5-6-15-12(11)9-20-10-21(15)20/h1-6,9H,7-8,10H2,(H,19,22).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide?
N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide is sourced from PubChem (CID 123804948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).