actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide

C35H37Ac2N4O2- — CID 22896621

IUPACactinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide
SMILESCc1cc(C)c2c3ccccc3n(Cc3ccc(C(C(=O)NC(CO)c4ccc([NH-])cc4)C4CCCC4)cc3)c2n1.[Ac].[Ac]
InChIInChI=1S/C35H37N4O2.2Ac/c1-22-19-23(2)37-34-32(22)29-9-5-6-10-31(29)39(34)20-24-11-13-27(14-12-24)33(26-7-3-4-8-26)35(41)38-30(21-40)25-15-17-28(36)18-16-25;;/h5-6,9-19,26,30,33,36,40H,3-4,7-8,20-21H2,1-2H3,(H,38,41);;/q-1;;
InChIKeyPKNHWYTWOFQTLQ-UHFFFAOYSA-N
MW999.71 g/mol
LogP7.66
Rot. Bonds8

About actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide

actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide (PubChem CID 22896621) has the molecular formula C35H37Ac2N4O2- and a molecular weight of 999.71 g/mol. Its IUPAC name is actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide.

Molecular Properties

Compound Nameactinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide
PubChem CID22896621
Molecular FormulaC35H37Ac2N4O2-
Molecular Weight999.71 g/mol
Exact Mass999.35
IUPAC Nameactinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide
SMILESCc1cc(C)c2c3ccccc3n(Cc3ccc(C(C(=O)NC(CO)c4ccc([NH-])cc4)C4CCCC4)cc3)c2n1.[Ac].[Ac]
InChIInChI=1S/C35H37N4O2.2Ac/c1-22-19-23(2)37-34-32(22)29-9-5-6-10-31(29)39(34)20-24-11-13-27(14-12-24)33(26-7-3-4-8-26)35(41)38-30(21-40)25-15-17-28(36)18-16-25;;/h5-6,9-19,26,30,33,36,40H,3-4,7-8,20-21H2,1-2H3,(H,38,41);;/q-1;;
InChIKeyPKNHWYTWOFQTLQ-UHFFFAOYSA-N
XLogP7.66
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.71
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide 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

(2S)-2-cyclohexyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 10119877
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[2-methyl-4-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]methyl]phenyl]acetamide
CID 10188596
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
CID 10279530
2-cyclohexyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(4-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
CID 142034937
(2S)-2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-(1-phenylethenyl)acetamide
CID 59942167
2-cycloheptyl-2-[4-[(2,3-dimethylindol-1-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 54565773
(2S)-2-cyclopentyl-2-[4-[(4-ethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 142102968
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetamide
CID 10118385
(2S)-2-cyclopentyl-2-[4-[[1,3-dimethyl-8-(3-methylphenyl)-2,6-dioxopurin-7-yl]methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 10189025
3-[9-[[4-[2-(benzylamino)-1-(oxan-4-yl)-2-oxoethyl]phenyl]methyl]-2,4-dimethylpyrido[2,3-b]indol-3-yl]propanamide
CID 10393584
2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(3-methyl-2,4-dioxo-6,7,8,9-tetrahydro-1H-pyrimido[5,4-b]indol-5-yl)methyl]phenyl]acetamide
CID 142035019
2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-[4-(pyrimido[4,5-b]indol-9-ylmethyl)phenyl]acetamide
CID 142034957

Frequently Asked Questions

What is the IUPAC name of actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide?
The IUPAC name of actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide (CID 22896621) is actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide.
What is the SMILES notation for actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide?
The canonical SMILES for actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide is Cc1cc(C)c2c3ccccc3n(Cc3ccc(C(C(=O)NC(CO)c4ccc([NH-])cc4)C4CCCC4)cc3)c2n1.[Ac].[Ac].
What is the InChIKey of actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide?
The InChIKey is PKNHWYTWOFQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N4O2.2Ac/c1-22-19-23(2)37-34-32(22)29-9-5-6-10-31(29)39(34)20-24-11-13-27(14-12-24)33(26-7-3-4-8-26)35(41)38-30(21-40)25-15-17-28(36)18-16-25;;/h5-6,9-19,26,30,33,36,40H,3-4,7-8,20-21H2,1-2H3,(H,38,41);;/q-1;;.
What are the key properties of actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide?
actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide has a molecular weight of 999.71 g/mol, XLogP of 7.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[4-[1-[[2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetyl]amino]-2-hydroxyethyl]phenyl]azanide is sourced from PubChem (CID 22896621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).