1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C26H23F3N4O — CID 66603668

IUPAC1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C26H23F3N4O/c1-31-20-11-13-32-12-2-3-21(32)24(20)19-8-9-22(30-25(19)31)33-14-10-17(15-23(33)34)16-4-6-18(7-5-16)26(27,28)29/h4-10,14-15,21H,2-3,11-13H2,1H3
InChIKeyFSVKNBCSYJBBSK-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.10
Rot. Bonds2

About 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 66603668) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID66603668
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C26H23F3N4O/c1-31-20-11-13-32-12-2-3-21(32)24(20)19-8-9-22(30-25(19)31)33-14-10-17(15-23(33)34)16-4-6-18(7-5-16)26(27,28)29/h4-10,14-15,21H,2-3,11-13H2,1H3
InChIKeyFSVKNBCSYJBBSK-UHFFFAOYSA-N
XLogP5.10
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 66603668) is 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)C1CCCN1CC2.
What is the InChIKey of 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is FSVKNBCSYJBBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-31-20-11-13-32-12-2-3-21(32)24(20)19-8-9-22(30-25(19)31)33-14-10-17(15-23(33)34)16-4-6-18(7-5-16)26(27,28)29/h4-10,14-15,21H,2-3,11-13H2,1H3.
What are the key properties of 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 464.49 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 66603668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).