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

C31H30N2O — CID 121342861

IUPAC7-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
SMILESCc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)nc1
InChIInChI=1S/C31H30N2O/c1-17(2)31(18(3)4)25-10-8-7-9-21(25)23-15-24-22-13-12-20(6)27(26-14-11-19(5)16-32-26)28(22)34-30(24)33-29(23)31/h7-18H,1-6H3
InChIKeyXBXVMPLTMFZLIQ-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.24
Rot. Bonds3

About 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

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 (PubChem CID 121342861) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID121342861
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name7-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
SMILESCc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)nc1
InChIInChI=1S/C31H30N2O/c1-17(2)31(18(3)4)25-10-8-7-9-21(25)23-15-24-22-13-12-20(6)27(26-14-11-19(5)16-32-26)28(22)34-30(24)33-29(23)31/h7-18H,1-6H3
InChIKeyXBXVMPLTMFZLIQ-UHFFFAOYSA-N
XLogP8.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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

7,14,14-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
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
8-(1,5-dimethylpyridin-1-ium-2-yl)-14,14-diethyl-7-methyl-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;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-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;8-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-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;8-(1,5-dimethylpyridin-1-ium-2-yl)-7,14,14-trimethyl-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 158860932
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
14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-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;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-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;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-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;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[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-14,1'-cyclopentane]
CID 160900156
10,10,17-trimethyl-16-(5-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 121342851
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
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
9,9,17-trimethyl-18-(5-methyl-2-pyridinyl)-20-oxa-6-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 121343071
4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
CID 121342970
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)nc1.
What is the InChIKey of 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?
The InChIKey is XBXVMPLTMFZLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-17(2)31(18(3)4)25-10-8-7-9-21(25)23-15-24-22-13-12-20(6)27(26-14-11-19(5)16-32-26)28(22)34-30(24)33-29(23)31/h7-18H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 446.59 g/mol, XLogP of 8.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121342861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).