N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C15H15F3N4O — CID 172833985

IUPACN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=NN=C2C1=CC1=C2C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)2-4-22-3-1-9(7-22)19-14(23)13-11-6-8-5-10(8)12(11)20-21-13/h6,9H,1-5,7H2,(H,19,23)/t9-/m1/s1
InChIKeyVXAUMNYQCDNWBE-SECBINFHSA-N
MW324.31 g/mol
LogP1.58
Rot. Bonds4

About N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 172833985) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID172833985
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=NN=C2C1=CC1=C2C1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)2-4-22-3-1-9(7-22)19-14(23)13-11-6-8-5-10(8)12(11)20-21-13/h6,9H,1-5,7H2,(H,19,23)/t9-/m1/s1
InChIKeyVXAUMNYQCDNWBE-SECBINFHSA-N
XLogP1.58
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292998
N-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293246
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
CID 172781905
N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
CID 172798307

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 172833985) is N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=NN=C2C1=CC1=C2C1.
What is the InChIKey of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is VXAUMNYQCDNWBE-SECBINFHSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)2-4-22-3-1-9(7-22)19-14(23)13-11-6-8-5-10(8)12(11)20-21-13/h6,9H,1-5,7H2,(H,19,23)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 172833985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).