5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene

C18H27N5O — CID 137098426

IUPAC5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene
SMILESCC1CCC2CC(C1)OCCNCCNc1ccn3ncc2c3n1
InChIInChI=1S/C18H27N5O/c1-13-2-3-14-11-15(10-13)24-9-7-19-5-6-20-17-4-8-23-18(22-17)16(14)12-21-23/h4,8,12-15,19H,2-3,5-7,9-11H2,1H3,(H,20,22)
InChIKeyCKWOUBAWAXBIEY-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.42
Rot. Bonds

About 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene

5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene (PubChem CID 137098426) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene.

Molecular Properties

Compound Name5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene
PubChem CID137098426
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene
SMILESCC1CCC2CC(C1)OCCNCCNc1ccn3ncc2c3n1
InChIInChI=1S/C18H27N5O/c1-13-2-3-14-11-15(10-13)24-9-7-19-5-6-20-17-4-8-23-18(22-17)16(14)12-21-23/h4,8,12-15,19H,2-3,5-7,9-11H2,1H3,(H,20,22)
InChIKeyCKWOUBAWAXBIEY-UHFFFAOYSA-N
XLogP2.42
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene with MolForge

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Related Compounds

2-Ethyl-5-(4-fluoropentyl)-9-piperidin-4-yl-6-oxa-9,12,16,17,20-pentazatricyclo[11.5.2.016,19]icosa-1(19),13(20),14,17-tetraene
CID 137061192
2-(2,4-diethyl-5,12-dioxa-9,16,17,20-tetrazatricyclo[11.5.2.016,19]icosa-1(19),13(20),14,17-tetraen-9-yl)-N-methylethanamine
CID 123756987
2-(8,14-dioxa-11,18,19,22-tetrazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraen-11-yl)-N-methylethanamine
CID 123984215
(9S)-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),3,5,17(24),18,21-hexaene
CID 163899112
3-(Oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 176301556
3-(Oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103167
3-(Oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103174
3-(Oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103181
3-(Oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103209
3-(Oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103216
3-(Oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103223
3-(Oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103446

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene?
The IUPAC name of 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene (CID 137098426) is 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene.
What is the SMILES notation for 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene?
The canonical SMILES for 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene is CC1CCC2CC(C1)OCCNCCNc1ccn3ncc2c3n1.
What is the InChIKey of 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene?
The InChIKey is CKWOUBAWAXBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-2-3-14-11-15(10-13)24-9-7-19-5-6-20-17-4-8-23-18(22-17)16(14)12-21-23/h4,8,12-15,19H,2-3,5-7,9-11H2,1H3,(H,20,22).
What are the key properties of 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene?
5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene has a molecular weight of 329.45 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene is sourced from PubChem (CID 137098426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).