7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C30H28N2O — CID 121343099

IUPAC7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCc1cc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C)C)ncc1C(C)C
InChIInChI=1S/C30H28N2O/c1-16(2)23-15-31-25(13-18(23)4)26-17(3)11-12-20-22-14-21-19-9-7-8-10-24(19)30(5,6)28(21)32-29(22)33-27(20)26/h7-16H,1-6H3
InChIKeyJLWPPTUAVCGTCK-UHFFFAOYSA-N
MW432.57 g/mol
LogP8.09
Rot. Bonds2

About 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 121343099) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID121343099
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCc1cc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C)C)ncc1C(C)C
InChIInChI=1S/C30H28N2O/c1-16(2)23-15-31-25(13-18(23)4)26-17(3)11-12-20-22-14-21-19-9-7-8-10-24(19)30(5,6)28(21)32-29(22)33-27(20)26/h7-16H,1-6H3
InChIKeyJLWPPTUAVCGTCK-UHFFFAOYSA-N
XLogP8.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-8-(5-methyl-2-pyridinyl)-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 121342861
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
8-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methyl-14,14-bis(trideuteriomethyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 155648736
7-methyl-14,14-bis(2-methylpropyl)-8-pyridin-2-yl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 121342998
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
CID 121342810
4-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-5-propan-2-ylpyridine
CID 121342831
18-(4,5-dimethyl-2-pyridinyl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 121342815
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
18-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-10,17-dimethyl-10-(trideuteriomethyl)-20-oxa-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene;18-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-10,17-dimethyl-10-(trideuteriomethyl)-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;8-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methyl-14,14-bis(trideuteriomethyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;16-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-17-methyl-10,10-bis(trideuteriomethyl)-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 157151626
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
CID 121343120
14,14-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 156661855

Frequently Asked Questions

What is the IUPAC name of 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The IUPAC name of 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 121343099) is 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.
What is the SMILES notation for 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The canonical SMILES for 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is Cc1cc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C)C)ncc1C(C)C.
What is the InChIKey of 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The InChIKey is JLWPPTUAVCGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-16(2)23-15-31-25(13-18(23)4)26-17(3)11-12-20-22-14-21-19-9-7-8-10-24(19)30(5,6)28(21)32-29(22)33-27(20)26/h7-16H,1-6H3.
What are the key properties of 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 432.57 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 121343099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).