2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol

C24H27N3O — CID 73296449

IUPAC2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12
InChIInChI=1S/C24H27N3O/c1-16-4-5-19-18(13-16)22-20-3-2-12-26(20)15-24(8-9-24)23(22)27(19)14-21(28)17-6-10-25-11-7-17/h4-7,10-11,13,20-21,28H,2-3,8-9,12,14-15H2,1H3
InChIKeyYRUAMABBXKICLI-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.26
Rot. Bonds3

About 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol

2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73296449) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
PubChem CID73296449
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12
InChIInChI=1S/C24H27N3O/c1-16-4-5-19-18(13-16)22-20-3-2-12-26(20)15-24(8-9-24)23(22)27(19)14-21(28)17-6-10-25-11-7-17/h4-7,10-11,13,20-21,28H,2-3,8-9,12,14-15H2,1H3
InChIKeyYRUAMABBXKICLI-UHFFFAOYSA-N
XLogP4.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
(2Z)-2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 10088884
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
CID 134563650
(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol
CID 134578456
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
Brn 0412717
CID 59067
1-(1-Butyl-1H-indol-3-yl)-2-(dimethylamino)ethan-1-ol
CID 60284
(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 52945174
(S)-1-(6-(1-(piperidin-1-ylsulfonyl)-1H-indol-5-yl)pyridin-2-yl)ethane-1,2-diol
CID 118414041
US10660877, Example 662
CID 134329257

Frequently Asked Questions

What is the IUPAC name of 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol (CID 73296449) is 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12.
What is the InChIKey of 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is YRUAMABBXKICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-4-5-19-18(13-16)22-20-3-2-12-26(20)15-24(8-9-24)23(22)27(19)14-21(28)17-6-10-25-11-7-17/h4-7,10-11,13,20-21,28H,2-3,8-9,12,14-15H2,1H3.
What are the key properties of 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 373.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 73296449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).