[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone

C29H29N5O — CID 157133911

IUPAC[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c(ccc4nc(-c5ccc6c(c5)C=NC6)c5c(c43)CCCC5)[nH]2)CC1
InChIInChI=1S/C29H29N5O/c1-33-10-12-34(13-11-33)29(35)26-15-23-24(31-26)8-9-25-27(23)21-4-2-3-5-22(21)28(32-25)18-6-7-19-16-30-17-20(19)14-18/h6-9,14-15,17,31H,2-5,10-13,16H2,1H3
InChIKeyYUEVFOIVYBQWGO-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.58
Rot. Bonds2

About [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone

[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 157133911) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID157133911
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c(ccc4nc(-c5ccc6c(c5)C=NC6)c5c(c43)CCCC5)[nH]2)CC1
InChIInChI=1S/C29H29N5O/c1-33-10-12-34(13-11-33)29(35)26-15-23-24(31-26)8-9-25-27(23)21-4-2-3-5-22(21)28(32-25)18-6-7-19-16-30-17-20(19)14-18/h6-9,14-15,17,31H,2-5,10-13,16H2,1H3
InChIKeyYUEVFOIVYBQWGO-UHFFFAOYSA-N
XLogP4.58
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2-methanimidoyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl]aniline
CID 142445263
ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen
CID 142445895
(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone
CID 148934600
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
7-(1H-isoindol-5-yl)-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1H-isoindol-5-yl)-5-(4-methylpiperazin-1-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(1H-isoindol-5-yl)-2-methyl-8,9,10,11-tetrahydro-6H-imidazo[4,5-a]phenanthridine;1-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]-N,N-dimethylpiperidin-4-amine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-triazolo[4,5-a]phenanthridine
CID 159050110
N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058
N-(2-piperidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 165437318
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10131823
6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
CID 160801949
N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 170610597

Frequently Asked Questions

What is the IUPAC name of [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 157133911) is [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3c(ccc4nc(-c5ccc6c(c5)C=NC6)c5c(c43)CCCC5)[nH]2)CC1.
What is the InChIKey of [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YUEVFOIVYBQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-33-10-12-34(13-11-33)29(35)26-15-23-24(31-26)8-9-25-27(23)21-4-2-3-5-22(21)28(32-25)18-6-7-19-16-30-17-20(19)14-18/h6-9,14-15,17,31H,2-5,10-13,16H2,1H3.
What are the key properties of [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 463.59 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 157133911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).