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

C25H29N3O — CID 73296450

IUPAC2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12
InChIInChI=1S/C25H29N3O/c1-16-12-17(2)23-19(13-16)22-20-4-3-11-27(20)15-25(7-8-25)24(22)28(23)14-21(29)18-5-9-26-10-6-18/h5-6,9-10,12-13,20-21,29H,3-4,7-8,11,14-15H2,1-2H3
InChIKeyJNAVIGCBVQIKNV-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.57
Rot. Bonds3

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

2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol (PubChem CID 73296450) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
PubChem CID73296450
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol
SMILESCc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12
InChIInChI=1S/C25H29N3O/c1-16-12-17(2)23-19(13-16)22-20-4-3-11-27(20)15-25(7-8-25)24(22)28(23)14-21(29)18-5-9-26-10-6-18/h5-6,9-10,12-13,20-21,29H,3-4,7-8,11,14-15H2,1-2H3
InChIKeyJNAVIGCBVQIKNV-UHFFFAOYSA-N
XLogP4.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8,10-dimethylspiro[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-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol (CID 73296450) is 2-(8,10-dimethylspiro[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-(8,10-dimethylspiro[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-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol is Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)C2(CC2)CN2CCCC12.
What is the InChIKey of 2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
The InChIKey is JNAVIGCBVQIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-16-12-17(2)23-19(13-16)22-20-4-3-11-27(20)15-25(7-8-25)24(22)28(23)14-21(29)18-5-9-26-10-6-18/h5-6,9-10,12-13,20-21,29H,3-4,7-8,11,14-15H2,1-2H3.
What are the key properties of 2-(8,10-dimethylspiro[2,3,5,11c-tetrahydro-1H-indolizino[7,8-b]indole-6,1'-cyclopropane]-7-yl)-1-pyridin-4-ylethanol?
2-(8,10-dimethylspiro[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 387.53 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,10-dimethylspiro[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 73296450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).