4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone

C83H102N16O2 — CID 159110224

IUPAC4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone
SMILESCc1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CC2CCCN2C1.O=C(Cn1c2c(c3cccnc31)C1CCCN1CC2)N1CCCCC1.O=C(Cn1c2c(c3cccnc31)CN1CCCC1C2)N1CCCCC1
InChIInChI=1S/C22H26N4.C21H24N4.2C20H26N4O/c1-15-10-19-20-14-25-8-3-4-18(25)11-21(20)26(22(19)24-12-15)9-7-17-6-5-16(2)23-13-17;1-15-6-7-16(13-23-15)8-11-25-20-12-17-4-3-10-24(17)14-19(20)18-5-2-9-22-21(18)25;25-19(22-9-2-1-3-10-22)14-24-18-12-15-6-5-11-23(15)13-17(18)16-7-4-8-21-20(16)24;25-18(23-10-2-1-3-11-23)14-24-17-8-13-22-12-5-7-16(22)19(17)15-6-4-9-21-20(15)24/h5-6,10,12-13,18H,3-4,7-9,11,14H2,1-2H3;2,5-7,9,13,17H,3-4,8,10-12,14H2,1H3;4,7-8,15H,1-3,5-6,9-14H2;4,6,9,16H,1-3,5,7-8,10-14H2
InChIKeyKEJYKEKGWWAFCC-UHFFFAOYSA-N
MW1355.84 g/mol
LogP12.63
Rot. Bonds10

About 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone

4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone (PubChem CID 159110224) has the molecular formula C83H102N16O2 and a molecular weight of 1355.84 g/mol. Its IUPAC name is 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone.

Molecular Properties

Compound Name4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone
PubChem CID159110224
Molecular FormulaC83H102N16O2
Molecular Weight1355.84 g/mol
Exact Mass1354.84
IUPAC Name4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone
SMILESCc1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CC2CCCN2C1.O=C(Cn1c2c(c3cccnc31)C1CCCN1CC2)N1CCCCC1.O=C(Cn1c2c(c3cccnc31)CN1CCCC1C2)N1CCCCC1
InChIInChI=1S/C22H26N4.C21H24N4.2C20H26N4O/c1-15-10-19-20-14-25-8-3-4-18(25)11-21(20)26(22(19)24-12-15)9-7-17-6-5-16(2)23-13-17;1-15-6-7-16(13-23-15)8-11-25-20-12-17-4-3-10-24(17)14-19(20)18-5-2-9-22-21(18)25;25-19(22-9-2-1-3-10-22)14-24-18-12-15-6-5-11-23(15)13-17(18)16-7-4-8-21-20(16)24;25-18(23-10-2-1-3-11-23)14-24-17-8-13-22-12-5-7-16(22)19(17)15-6-4-9-21-20(15)24/h5-6,10,12-13,18H,3-4,7-9,11,14H2,1-2H3;2,5-7,9,13,17H,3-4,8,10-12,14H2,1H3;4,7-8,15H,1-3,5-6,9-14H2;4,6,9,16H,1-3,5,7-8,10-14H2
InChIKeyKEJYKEKGWWAFCC-UHFFFAOYSA-N
XLogP12.63
TPSA150.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.84
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone with MolForge

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Related Compounds

1-(1-Acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379532
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-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-one
CID 66603252
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)pyridin-3-yl]pyridin-2-one
CID 66603270
US10202375, Example 5
CID 121271659
US10202375, Example 1
CID 121271682
1-[8-[(3R)-4-(2-imidazo[4,5-b]pyridin-3-ylacetyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-indol-1-ylethanone
CID 118396311
5-[1-(1,1-Dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one
CID 177380912
1-[1-[2-[5-(2,3-difluorophenyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 44129465
1-[4-[4-Fluoro-2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 59564336
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-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-one;hydrochloride
CID 66603251
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)pyridin-3-yl]pyridin-2-one;hydrochloride
CID 66603269
1-[1-[2-[5-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 70992199

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone?
The IUPAC name of 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone (CID 159110224) is 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone.
What is the SMILES notation for 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone?
The canonical SMILES for 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone is Cc1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CC2CCCN2C1.O=C(Cn1c2c(c3cccnc31)C1CCCN1CC2)N1CCCCC1.O=C(Cn1c2c(c3cccnc31)CN1CCCC1C2)N1CCCCC1.
What is the InChIKey of 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone?
The InChIKey is KEJYKEKGWWAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4.C21H24N4.2C20H26N4O/c1-15-10-19-20-14-25-8-3-4-18(25)11-21(20)26(22(19)24-12-15)9-7-17-6-5-16(2)23-13-17;1-15-6-7-16(13-23-15)8-11-25-20-12-17-4-3-10-24(17)14-19(20)18-5-2-9-22-21(18)25;25-19(22-9-2-1-3-10-22)14-24-18-12-15-6-5-11-23(15)13-17(18)16-7-4-8-21-20(16)24;25-18(23-10-2-1-3-11-23)14-24-17-8-13-22-12-5-7-16(22)19(17)15-6-4-9-21-20(15)24/h5-6,10,12-13,18H,3-4,7-9,11,14H2,1-2H3;2,5-7,9,13,17H,3-4,8,10-12,14H2,1H3;4,7-8,15H,1-3,5-6,9-14H2;4,6,9,16H,1-3,5,7-8,10-14H2.
What are the key properties of 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone?
4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone has a molecular weight of 1355.84 g/mol, XLogP of 12.63, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;1-piperidin-1-yl-2-(6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-8-yl)ethanone;1-piperidin-1-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanone is sourced from PubChem (CID 159110224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).