3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine

C27H35N5 — CID 123644475

IUPAC3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
SMILESCNC1CCc2[nH]c3ccc(Nc4ccc5c(c4)N(C)CC5C4CCNCC4)cc3c2C1
InChIInChI=1S/C27H35N5/c1-28-18-4-7-25-22(13-18)23-14-19(5-8-26(23)31-25)30-20-3-6-21-24(16-32(2)27(21)15-20)17-9-11-29-12-10-17/h3,5-6,8,14-15,17-18,24,28-31H,4,7,9-13,16H2,1-2H3
InChIKeyKZHMZWWSZIOINQ-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.52
Rot. Bonds4

About 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine

3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine (PubChem CID 123644475) has the molecular formula C27H35N5 and a molecular weight of 429.61 g/mol. Its IUPAC name is 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
PubChem CID123644475
Molecular FormulaC27H35N5
Molecular Weight429.61 g/mol
Exact Mass429.29
IUPAC Name3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
SMILESCNC1CCc2[nH]c3ccc(Nc4ccc5c(c4)N(C)CC5C4CCNCC4)cc3c2C1
InChIInChI=1S/C27H35N5/c1-28-18-4-7-25-22(13-18)23-14-19(5-8-26(23)31-25)30-20-3-6-21-24(16-32(2)27(21)15-20)17-9-11-29-12-10-17/h3,5-6,8,14-15,17-18,24,28-31H,4,7,9-13,16H2,1-2H3
InChIKeyKZHMZWWSZIOINQ-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine?
The IUPAC name of 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine (CID 123644475) is 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine.
What is the SMILES notation for 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine?
The canonical SMILES for 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine is CNC1CCc2[nH]c3ccc(Nc4ccc5c(c4)N(C)CC5C4CCNCC4)cc3c2C1.
What is the InChIKey of 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine?
The InChIKey is KZHMZWWSZIOINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5/c1-28-18-4-7-25-22(13-18)23-14-19(5-8-26(23)31-25)30-20-3-6-21-24(16-32(2)27(21)15-20)17-9-11-29-12-10-17/h3,5-6,8,14-15,17-18,24,28-31H,4,7,9-13,16H2,1-2H3.
What are the key properties of 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine?
3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine has a molecular weight of 429.61 g/mol, XLogP of 4.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-6-N-(1-methyl-3-piperidin-4-yl-2,3-dihydroindol-6-yl)-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine is sourced from PubChem (CID 123644475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).