1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol

C24H28FN3O — CID 73331672

IUPAC1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN2CCCC12CF
InChIInChI=1S/C24H28FN3O/c1-17-4-5-20-19(14-17)22-21(8-13-27-12-3-9-24(22,27)15-25)28(20)16-23(2,29)18-6-10-26-11-7-18/h4-7,10-11,14,29H,3,8-9,12-13,15-16H2,1-2H3
InChIKeyPKRBXWNCMUBANQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.07
Rot. Bonds4

About 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol

1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol (PubChem CID 73331672) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol
PubChem CID73331672
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN2CCCC12CF
InChIInChI=1S/C24H28FN3O/c1-17-4-5-20-19(14-17)22-21(8-13-27-12-3-9-24(22,27)15-25)28(20)16-23(2,29)18-6-10-26-11-7-18/h4-7,10-11,14,29H,3,8-9,12-13,15-16H2,1-2H3
InChIKeyPKRBXWNCMUBANQ-UHFFFAOYSA-N
XLogP4.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol with MolForge

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Related Compounds

Latrepirdine
CID 197033
2,8-dimethyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 621659
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
2'-(1,5-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176173
2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(pyridin-2-yl)ethyl)-1H-pyrido[4,3-b]indole
CID 44126329
2,8-Dimethyl-5-(2-(pyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
CID 44126330
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
2-methyl-5-(2-(pyridin-3-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54584885
bis(1H-indol-2-yl)-pyridin-4-ylmethanol
CID 135257031
3-(Dimethylamino)-1-(1-methyl-1H-indol-3-yl)-1-phenylpropan-1-ol
CID 59462

Frequently Asked Questions

What is the IUPAC name of 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol (CID 73331672) is 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN2CCCC12CF.
What is the InChIKey of 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol?
The InChIKey is PKRBXWNCMUBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17-4-5-20-19(14-17)22-21(8-13-27-12-3-9-24(22,27)15-25)28(20)16-23(2,29)18-6-10-26-11-7-18/h4-7,10-11,14,29H,3,8-9,12-13,15-16H2,1-2H3.
What are the key properties of 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol?
1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol has a molecular weight of 393.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11c-(fluoromethyl)-10-methyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl]-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 73331672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).