3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol

C24H23N5O — CID 142764565

IUPAC3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCNc3ccnc(NCc4ccc5[nH]ccc5c4)c3)c2c1
InChIInChI=1S/C24H23N5O/c30-20-2-4-23-21(13-20)18(15-28-23)6-8-25-19-7-10-27-24(12-19)29-14-16-1-3-22-17(11-16)5-9-26-22/h1-5,7,9-13,15,26,28,30H,6,8,14H2,(H2,25,27,29)
InChIKeyJKZPOKADDPCXKN-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.02
Rot. Bonds7

About 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol

3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol (PubChem CID 142764565) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol
PubChem CID142764565
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCNc3ccnc(NCc4ccc5[nH]ccc5c4)c3)c2c1
InChIInChI=1S/C24H23N5O/c30-20-2-4-23-21(13-20)18(15-28-23)6-8-25-19-7-10-27-24(12-19)29-14-16-1-3-22-17(11-16)5-9-26-22/h1-5,7,9-13,15,26,28,30H,6,8,14H2,(H2,25,27,29)
InChIKeyJKZPOKADDPCXKN-UHFFFAOYSA-N
XLogP5.02
TPSA88.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol with MolForge

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Related Compounds

4-N-(1H-indol-5-ylmethyl)-2-N-[2-(5-phenoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 123644006
2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123729544
methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate
CID 142764569
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 123378787
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol (CID 142764565) is 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(CCNc3ccnc(NCc4ccc5[nH]ccc5c4)c3)c2c1.
What is the InChIKey of 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol?
The InChIKey is JKZPOKADDPCXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-20-2-4-23-21(13-20)18(15-28-23)6-8-25-19-7-10-27-24(12-19)29-14-16-1-3-22-17(11-16)5-9-26-22/h1-5,7,9-13,15,26,28,30H,6,8,14H2,(H2,25,27,29).
What are the key properties of 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol?
3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol has a molecular weight of 397.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 142764565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).