[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C26H32N4O2 — CID 73295135

IUPAC[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N3CCCC3)nc2)CCN(C)C1
InChIInChI=1S/C26H32N4O2/c1-18-6-9-23-20(14-18)21-16-28(3)13-10-24(21)30(23)17-26(2,32)19-7-8-22(27-15-19)25(31)29-11-4-5-12-29/h6-9,14-15,32H,4-5,10-13,16-17H2,1-3H3
InChIKeyCPOIHOKLULQJTP-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.48
Rot. Bonds4

About [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 73295135) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID73295135
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N3CCCC3)nc2)CCN(C)C1
InChIInChI=1S/C26H32N4O2/c1-18-6-9-23-20(14-18)21-16-28(3)13-10-24(21)30(23)17-26(2,32)19-7-8-22(27-15-19)25(31)29-11-4-5-12-29/h6-9,14-15,32H,4-5,10-13,16-17H2,1-3H3
InChIKeyCPOIHOKLULQJTP-UHFFFAOYSA-N
XLogP3.48
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

4-[8-[(4-Cyclopropyl-1-propan-2-ylindol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66766052
3-[1-(1,1-dipyridin-2-ylethyl)-4-(2-hydroxypropan-2-yl)indol-6-yl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 155461094
4-[2-Oxo-8-[[1-propan-2-yl-5-(2,3,4-trifluorophenyl)indol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 56847843
1-cyclohexyl-3-methyl-2-(pyridin-2-yl)-1H-indole-5-carboxylic acid
CID 44416835
4-[8-[(7-Methyl-1-propan-2-ylindol-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
CID 145980226
3-Cyclohexyl-1-[2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]-2-oxo-ethyl]-2-phenyl-indole-5-carboxylic acid
CID 6480908
2-methyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 54580943
2-[[5-Methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172847353
(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl(pyridin-3-ylmethyl)amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
CID 54637660
3-Cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]-2-phenyl-indole-5-carboxylic acid
CID 6480906
3-Cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-pyridin-2-ylindole-6-carboxylic acid
CID 46232753
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134805319

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 73295135) is [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N3CCCC3)nc2)CCN(C)C1.
What is the InChIKey of [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CPOIHOKLULQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-6-9-23-20(14-18)21-16-28(3)13-10-24(21)30(23)17-26(2,32)19-7-8-22(27-15-19)25(31)29-11-4-5-12-29/h6-9,14-15,32H,4-5,10-13,16-17H2,1-3H3.
What are the key properties of [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 432.57 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 73295135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).