6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

C27H33N5 — CID 58512062

IUPAC6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCNC1CCc2c(c3ccc(Nc4ccc5c(c4)C(C4CCNCC4)=CC5)nc3n2C)C1
InChIInChI=1S/C27H33N5/c1-28-19-6-9-25-24(15-19)22-8-10-26(31-27(22)32(25)2)30-20-5-3-17-4-7-21(23(17)16-20)18-11-13-29-14-12-18/h3,5,7-8,10,16,18-19,28-29H,4,6,9,11-15H2,1-2H3,(H,30,31)
InChIKeyCVZLDVVYEINYEW-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.33
Rot. Bonds4

About 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (PubChem CID 58512062) has the molecular formula C27H33N5 and a molecular weight of 427.60 g/mol. Its IUPAC name is 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.

Molecular Properties

Compound Name6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
PubChem CID58512062
Molecular FormulaC27H33N5
Molecular Weight427.60 g/mol
Exact Mass427.27
IUPAC Name6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCNC1CCc2c(c3ccc(Nc4ccc5c(c4)C(C4CCNCC4)=CC5)nc3n2C)C1
InChIInChI=1S/C27H33N5/c1-28-19-6-9-25-24(15-19)22-8-10-26(31-27(22)32(25)2)30-20-5-3-17-4-7-21(23(17)16-20)18-11-13-29-14-12-18/h3,5,7-8,10,16,18-19,28-29H,4,6,9,11-15H2,1-2H3,(H,30,31)
InChIKeyCVZLDVVYEINYEW-UHFFFAOYSA-N
XLogP4.33
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine with MolForge

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Related Compounds

6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1954U89
CID 177894
8-Ethyl-7-sec-butyl-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467900
8-Ethyl-7-(1-ethylpropyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467902
7-(1-Ethylpropyl)-8-propyl-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467904
7-(1-Ethylpropyl)-8-isopropyl-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467905
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 16035342
7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467896
4-(3-Cyclopentyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135336047
7-(2,3-dihydro-1H-inden-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646633
GPR4 antagonist 3b
CID 127043060

Frequently Asked Questions

What is the IUPAC name of 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The IUPAC name of 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (CID 58512062) is 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.
What is the SMILES notation for 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The canonical SMILES for 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is CNC1CCc2c(c3ccc(Nc4ccc5c(c4)C(C4CCNCC4)=CC5)nc3n2C)C1.
What is the InChIKey of 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The InChIKey is CVZLDVVYEINYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5/c1-28-19-6-9-25-24(15-19)22-8-10-26(31-27(22)32(25)2)30-20-5-3-17-4-7-21(23(17)16-20)18-11-13-29-14-12-18/h3,5,7-8,10,16,18-19,28-29H,4,6,9,11-15H2,1-2H3,(H,30,31).
What are the key properties of 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine has a molecular weight of 427.60 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,9-dimethyl-2-N-(3-piperidin-4-yl-1H-inden-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is sourced from PubChem (CID 58512062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).