14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide

C25H16F3N7O — CID 154609069

IUPAC14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide
SMILESCn1nc2c3c(nc(-c4cccnc4)nc31)Nc1cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc1-2
InChIInChI=1S/C25H16F3N7O/c1-35-23-19-20(34-35)17-8-7-13(24(36)30-16-6-2-5-15(11-16)25(26,27)28)10-18(17)31-22(19)32-21(33-23)14-4-3-9-29-12-14/h2-12H,1H3,(H,30,36)(H,31,32,33)
InChIKeyIBPQFSOOUJKOST-UHFFFAOYSA-N
MW487.45 g/mol
LogP5.42
Rot. Bonds3

About 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide

14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide (PubChem CID 154609069) has the molecular formula C25H16F3N7O and a molecular weight of 487.45 g/mol. Its IUPAC name is 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide.

Molecular Properties

Compound Name14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide
PubChem CID154609069
Molecular FormulaC25H16F3N7O
Molecular Weight487.45 g/mol
Exact Mass487.14
IUPAC Name14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide
SMILESCn1nc2c3c(nc(-c4cccnc4)nc31)Nc1cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc1-2
InChIInChI=1S/C25H16F3N7O/c1-35-23-19-20(34-35)17-8-7-13(24(36)30-16-6-2-5-15(11-16)25(26,27)28)10-18(17)31-22(19)32-21(33-23)14-4-3-9-29-12-14/h2-12H,1H3,(H,30,36)(H,31,32,33)
InChIKeyIBPQFSOOUJKOST-UHFFFAOYSA-N
XLogP5.42
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide?
The IUPAC name of 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide (CID 154609069) is 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide.
What is the SMILES notation for 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide?
The canonical SMILES for 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide is Cn1nc2c3c(nc(-c4cccnc4)nc31)Nc1cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc1-2.
What is the InChIKey of 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide?
The InChIKey is IBPQFSOOUJKOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O/c1-35-23-19-20(34-35)17-8-7-13(24(36)30-16-6-2-5-15(11-16)25(26,27)28)10-18(17)31-22(19)32-21(33-23)14-4-3-9-29-12-14/h2-12H,1H3,(H,30,36)(H,31,32,33).
What are the key properties of 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide?
14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide has a molecular weight of 487.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-11-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-8,10,12,14,15-pentazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-5-carboxamide is sourced from PubChem (CID 154609069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).