6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile

C26H22N8O3 — CID 174248433

IUPAC6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
SMILESCn1nc(CCn2nc(NCn3nc(C#N)c4ccc(O)cc43)c3ccc(O)cc32)c2ccc(O)cc21
InChIInChI=1S/C26H22N8O3/c1-32-23-10-15(35)2-5-18(23)21(29-32)8-9-33-25-12-17(37)4-7-20(25)26(31-33)28-14-34-24-11-16(36)3-6-19(24)22(13-27)30-34/h2-7,10-12,35-37H,8-9,14H2,1H3,(H,28,31)
InChIKeyHAFRFYPRYYZHAI-UHFFFAOYSA-N
MW494.52 g/mol
LogP3.57
Rot. Bonds6

About 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile

6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile (PubChem CID 174248433) has the molecular formula C26H22N8O3 and a molecular weight of 494.52 g/mol. Its IUPAC name is 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
PubChem CID174248433
Molecular FormulaC26H22N8O3
Molecular Weight494.52 g/mol
Exact Mass494.18
IUPAC Name6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
SMILESCn1nc(CCn2nc(NCn3nc(C#N)c4ccc(O)cc43)c3ccc(O)cc32)c2ccc(O)cc21
InChIInChI=1S/C26H22N8O3/c1-32-23-10-15(35)2-5-18(23)21(29-32)8-9-33-25-12-17(37)4-7-20(25)26(31-33)28-14-34-24-11-16(36)3-6-19(24)22(13-27)30-34/h2-7,10-12,35-37H,8-9,14H2,1H3,(H,28,31)
InChIKeyHAFRFYPRYYZHAI-UHFFFAOYSA-N
XLogP3.57
TPSA149.97 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile with MolForge

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Related Compounds

tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate
CID 137147204
6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
CID 163230634
3-iodo-1-methylindazol-6-ol
CID 136948963
3-cyclopentyl-1-methylindazol-6-ol
CID 136866728
3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195
4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol
CID 135454762
6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazole-3-carbonitrile
CID 86678972
4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile
CID 155296242
(2S)-2-amino-3-(3-cyano-1-methylindazol-5-yl)propanoic acid
CID 146315179
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate
CID 135929578
3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
CID 154941998
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile (CID 174248433) is 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile is Cn1nc(CCn2nc(NCn3nc(C#N)c4ccc(O)cc43)c3ccc(O)cc32)c2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile?
The InChIKey is HAFRFYPRYYZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O3/c1-32-23-10-15(35)2-5-18(23)21(29-32)8-9-33-25-12-17(37)4-7-20(25)26(31-33)28-14-34-24-11-16(36)3-6-19(24)22(13-27)30-34/h2-7,10-12,35-37H,8-9,14H2,1H3,(H,28,31).
What are the key properties of 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile?
6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile has a molecular weight of 494.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile is sourced from PubChem (CID 174248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).