6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one

C23H18ClF3N6O2 — CID 165405912

IUPAC6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4Cc2cccc(=O)[nH]2)c1C(F)(F)F
InChIInChI=1S/C23H18ClF3N6O2/c1-11-7-15(28)32-20(18(11)23(25,26)27)13-8-14-17-21(19(13)24)35-6-5-33(22(17)30-10-29-14)9-12-3-2-4-16(34)31-12/h2-4,7-8,10H,5-6,9H2,1H3,(H2,28,32)(H,31,34)
InChIKeyWABMKWSUAFROPA-UHFFFAOYSA-N
MW502.88 g/mol
LogP4.34
Rot. Bonds3

About 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one

6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one (PubChem CID 165405912) has the molecular formula C23H18ClF3N6O2 and a molecular weight of 502.88 g/mol. Its IUPAC name is 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one
PubChem CID165405912
Molecular FormulaC23H18ClF3N6O2
Molecular Weight502.88 g/mol
Exact Mass502.11
IUPAC Name6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4Cc2cccc(=O)[nH]2)c1C(F)(F)F
InChIInChI=1S/C23H18ClF3N6O2/c1-11-7-15(28)32-20(18(11)23(25,26)27)13-8-14-17-21(19(13)24)35-6-5-33(22(17)30-10-29-14)9-12-3-2-4-16(34)31-12/h2-4,7-8,10H,5-6,9H2,1H3,(H2,28,32)(H,31,34)
InChIKeyWABMKWSUAFROPA-UHFFFAOYSA-N
XLogP4.34
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.88
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(3R,10R,14aS)-AZD4625
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CID 24810599
1-[(7R)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142468970
1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142468998
1-[(7S)-11-chloro-12-(2-chloro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142469055
1-[(7S)-11-chloro-12-(2-fluoro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142469058
1-[(4R,7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146250737
1-[(4S,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-5-yl]prop-2-en-1-one
CID 146250884
1-[(4S,7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146250926
1-[(7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146461338
1-[(7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-5-yl]prop-2-en-1-one
CID 168297887
(E)-1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-8,9-dihydro-7H-pyrimido[5,4-h][1,5]benzoxazepin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 78322609

Frequently Asked Questions

What is the IUPAC name of 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one (CID 165405912) is 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one is Cc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4Cc2cccc(=O)[nH]2)c1C(F)(F)F.
What is the InChIKey of 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one?
The InChIKey is WABMKWSUAFROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O2/c1-11-7-15(28)32-20(18(11)23(25,26)27)13-8-14-17-21(19(13)24)35-6-5-33(22(17)30-10-29-14)9-12-3-2-4-16(34)31-12/h2-4,7-8,10H,5-6,9H2,1H3,(H2,28,32)(H,31,34).
What are the key properties of 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one?
6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one has a molecular weight of 502.88 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 165405912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).