5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol

C23H26N4O — CID 90294063

IUPAC5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCc1cnc2c(c1)c1c(n2CC2(O)CCc3cnccc32)CCN2CCCC12
InChIInChI=1S/C23H26N4O/c1-15-11-17-21-19-3-2-9-26(19)10-6-20(21)27(22(17)25-12-15)14-23(28)7-4-16-13-24-8-5-18(16)23/h5,8,11-13,19,28H,2-4,6-7,9-10,14H2,1H3
InChIKeyFEYHEDTYNDKBHX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.27
Rot. Bonds2

About 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol

5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol (PubChem CID 90294063) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol.

Molecular Properties

Compound Name5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol
PubChem CID90294063
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCc1cnc2c(c1)c1c(n2CC2(O)CCc3cnccc32)CCN2CCCC12
InChIInChI=1S/C23H26N4O/c1-15-11-17-21-19-3-2-9-26(19)10-6-20(21)27(22(17)25-12-15)14-23(28)7-4-16-13-24-8-5-18(16)23/h5,8,11-13,19,28H,2-4,6-7,9-10,14H2,1H3
InChIKeyFEYHEDTYNDKBHX-UHFFFAOYSA-N
XLogP3.27
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The IUPAC name of 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol (CID 90294063) is 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol.
What is the SMILES notation for 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The canonical SMILES for 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol is Cc1cnc2c(c1)c1c(n2CC2(O)CCc3cnccc32)CCN2CCCC12.
What is the InChIKey of 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The InChIKey is FEYHEDTYNDKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-11-17-21-19-3-2-9-26(19)10-6-20(21)27(22(17)25-12-15)14-23(28)7-4-16-13-24-8-5-18(16)23/h5,8,11-13,19,28H,2-4,6-7,9-10,14H2,1H3.
What are the key properties of 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol?
5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol has a molecular weight of 374.49 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)methyl]-6,7-dihydrocyclopenta[c]pyridin-5-ol is sourced from PubChem (CID 90294063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).