methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate

C24H21N5O2 — CID 142764569

IUPACmethyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(NCc3ccc4[nH]ccc4c3)ccn2)c2cc[nH]c2c1
InChIInChI=1S/C24H21N5O2/c1-31-24(30)17-11-21-19(6-9-26-21)22(12-17)29-23-13-18(5-8-27-23)28-14-15-2-3-20-16(10-15)4-7-25-20/h2-13,25-26H,14H2,1H3,(H2,27,28,29)
InChIKeySJGMGDYTTMBLKN-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.19
Rot. Bonds6

About methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate

methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate (PubChem CID 142764569) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate
PubChem CID142764569
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Namemethyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(NCc3ccc4[nH]ccc4c3)ccn2)c2cc[nH]c2c1
InChIInChI=1S/C24H21N5O2/c1-31-24(30)17-11-21-19(6-9-26-21)22(12-17)29-23-13-18(5-8-27-23)28-14-15-2-3-20-16(10-15)4-7-25-20/h2-13,25-26H,14H2,1H3,(H2,27,28,29)
InChIKeySJGMGDYTTMBLKN-UHFFFAOYSA-N
XLogP5.19
TPSA94.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate with MolForge

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Related Compounds

4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
CID 123314753
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol
CID 142764565
N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxyaniline;hydrochloride
CID 17221805
methyl 1H-indole-5-carboxylate;pyridine
CID 175088239
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
methyl 4-(4-chlorobutanoylamino)-1H-indole-6-carboxylate
CID 69359458
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate (CID 142764569) is methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate is COC(=O)c1cc(Nc2cc(NCc3ccc4[nH]ccc4c3)ccn2)c2cc[nH]c2c1.
What is the InChIKey of methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate?
The InChIKey is SJGMGDYTTMBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-31-24(30)17-11-21-19(6-9-26-21)22(12-17)29-23-13-18(5-8-27-23)28-14-15-2-3-20-16(10-15)4-7-25-20/h2-13,25-26H,14H2,1H3,(H2,27,28,29).
What are the key properties of methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate?
methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate has a molecular weight of 411.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate is sourced from PubChem (CID 142764569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).