1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride

C25H23ClF3N5O — CID 66603269

IUPAC1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H22F3N5O.ClH/c1-31-20-12-17-3-2-9-32(17)14-19(20)18-5-7-22(30-24(18)31)33-10-8-15(11-23(33)34)16-4-6-21(29-13-16)25(26,27)28;/h4-8,10-11,13,17H,2-3,9,12,14H2,1H3;1H
InChIKeyFRYFVPOCVHJMOY-UHFFFAOYSA-N
MW501.94 g/mol
LogP4.75
Rot. Bonds2

About 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride

1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride (PubChem CID 66603269) has the molecular formula C25H23ClF3N5O and a molecular weight of 501.94 g/mol. Its IUPAC name is 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride
PubChem CID66603269
Molecular FormulaC25H23ClF3N5O
Molecular Weight501.94 g/mol
Exact Mass501.15
IUPAC Name1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H22F3N5O.ClH/c1-31-20-12-17-3-2-9-32(17)14-19(20)18-5-7-22(30-24(18)31)33-10-8-15(11-23(33)34)16-4-6-21(29-13-16)25(26,27)28;/h4-8,10-11,13,17H,2-3,9,12,14H2,1H3;1H
InChIKeyFRYFVPOCVHJMOY-UHFFFAOYSA-N
XLogP4.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.94
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride?
The IUPAC name of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride (CID 66603269) is 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride is Cl.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride?
The InChIKey is FRYFVPOCVHJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O.ClH/c1-31-20-12-17-3-2-9-32(17)14-19(20)18-5-7-22(30-24(18)31)33-10-8-15(11-23(33)34)16-4-6-21(29-13-16)25(26,27)28;/h4-8,10-11,13,17H,2-3,9,12,14H2,1H3;1H.
What are the key properties of 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride?
1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride has a molecular weight of 501.94 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 66603269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).