10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

C27H22N2O — CID 121343064

About 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (PubChem CID 121343064) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
• PubChem CID: 121343064
• Molecular Formula: C27H22N2O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.17
• IUPAC Name: 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
• SMILES: Cc1ccnc(-c2c(C)ccc3c2oc2cc4c(cc23)-c2cccnc2C4(C)C)c1
• InChI: InChI=1S/C27H22N2O/c1-15-9-11-28-22(12-15)24-16(2)7-8-17-20-13-19-18-6-5-10-29-26(18)27(3,4)21(19)14-23(20)30-25(17)24/h5-14H,1-4H3
• InChIKey: YMBTUINPOCARBK-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The IUPAC name of 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (CID 121343064) is 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

What is the SMILES notation for 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The canonical SMILES for 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is Cc1ccnc(-c2c(C)ccc3c2oc2cc4c(cc23)-c2cccnc2C4(C)C)c1.

What is the InChIKey of 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The InChIKey is YMBTUINPOCARBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-15-9-11-28-22(12-15)24-16(2)7-8-17-20-13-19-18-6-5-10-29-26(18)27(3,4)21(19)14-23(20)30-25(17)24/h5-14H,1-4H3.

What are the key properties of 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene has a molecular weight of 390.49 g/mol, XLogP of 6.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10,17-trimethyl-16-(4-methyl-2-pyridinyl)-14-oxa-8-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is sourced from PubChem (CID 121343064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).