(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

C18H22N2 — CID 169319957

IUPAC(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)C2CC3CCC2N1C3
InChIInChI=1S/C18H22N2/c1-11-8-14-13-4-2-3-5-16(13)19-18(14)15-9-12-6-7-17(15)20(11)10-12/h2-5,11-12,15,17,19H,6-10H2,1H3/t11-,12?,15?,17?/m1/s1
InChIKeyAIUCMDSNEXVSBN-UEWIPEQESA-N
MW266.39 g/mol
LogP3.68
Rot. Bonds

About (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene (PubChem CID 169319957) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
PubChem CID169319957
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)C2CC3CCC2N1C3
InChIInChI=1S/C18H22N2/c1-11-8-14-13-4-2-3-5-16(13)19-18(14)15-9-12-6-7-17(15)20(11)10-12/h2-5,11-12,15,17,19H,6-10H2,1H3/t11-,12?,15?,17?/m1/s1
InChIKeyAIUCMDSNEXVSBN-UEWIPEQESA-N
XLogP3.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S,8S,11R)-11-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
CID 11872890
(2R,3S,8S,11S)-11-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
CID 11872888
(3R)-2-cyclobutyl-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987704
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
2-[(1S,3R)-2-[(2R)-2-bicyclo[3.1.1]heptanyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrimidin-5-amine
CID 167141895
1-(3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-yl)ethanol
CID 73009182
(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15674747
5-[(1S,3R)-2-(2-bicyclo[3.1.1]heptanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-N-[(3S)-1-propylpyrrolidin-3-yl]pyrazin-2-amine
CID 164561341
(3S)-N-[4-[(1R,3R)-2-(2-bicyclo[2.1.1]hexanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-1-(3-fluoropropyl)pyrrolidin-3-amine
CID 164561330
(1R,3R)-2-[(2R)-2-bicyclo[2.1.1]hexanyl]-1-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 167141463
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbaldehyde
CID 174709494
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-ol
CID 73152734

Frequently Asked Questions

What is the IUPAC name of (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The IUPAC name of (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene (CID 169319957) is (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The canonical SMILES for (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene is C[C@@H]1Cc2c([nH]c3ccccc23)C2CC3CCC2N1C3.
What is the InChIKey of (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
The InChIKey is AIUCMDSNEXVSBN-UEWIPEQESA-N. The full InChI is InChI=1S/C18H22N2/c1-11-8-14-13-4-2-3-5-16(13)19-18(14)15-9-12-6-7-17(15)20(11)10-12/h2-5,11-12,15,17,19H,6-10H2,1H3/t11-,12?,15?,17?/m1/s1.
What are the key properties of (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene?
(12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene has a molecular weight of 266.39 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 169319957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).