1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one

C24H20ClF3N6O2 — CID 174189646

IUPAC1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(CCn2ccccc2=O)C=CO3)c1C(F)(F)F
InChIInChI=1S/C24H20ClF3N6O2/c1-13-10-16(29)32-21(19(13)24(26,27)28)14-11-15-18-22(20(14)25)30-12-31-23(18)34(8-9-36-15)7-6-33-5-3-2-4-17(33)35/h2-5,8-11,30H,6-7,12H2,1H3,(H2,29,32)
InChIKeyZZSVJXGKCIAMDZ-UHFFFAOYSA-N
MW516.91 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one

1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one (PubChem CID 174189646) has the molecular formula C24H20ClF3N6O2 and a molecular weight of 516.91 g/mol. Its IUPAC name is 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one
PubChem CID174189646
Molecular FormulaC24H20ClF3N6O2
Molecular Weight516.91 g/mol
Exact Mass516.13
IUPAC Name1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(CCn2ccccc2=O)C=CO3)c1C(F)(F)F
InChIInChI=1S/C24H20ClF3N6O2/c1-13-10-16(29)32-21(19(13)24(26,27)28)14-11-15-18-22(20(14)25)30-12-31-23(18)34(8-9-36-15)7-6-33-5-3-2-4-17(33)35/h2-5,8-11,30H,6-7,12H2,1H3,(H2,29,32)
InChIKeyZZSVJXGKCIAMDZ-UHFFFAOYSA-N
XLogP4.47
TPSA97.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.91
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one (CID 174189646) is 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one is Cc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(CCn2ccccc2=O)C=CO3)c1C(F)(F)F.
What is the InChIKey of 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one?
The InChIKey is ZZSVJXGKCIAMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O2/c1-13-10-16(29)32-21(19(13)24(26,27)28)14-11-15-18-22(20(14)25)30-12-31-23(18)34(8-9-36-15)7-6-33-5-3-2-4-17(33)35/h2-5,8-11,30H,6-7,12H2,1H3,(H2,29,32).
What are the key properties of 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one?
1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one has a molecular weight of 516.91 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 174189646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).