2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol

C23H25N7O — CID 155287188

IUPAC2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4ccc5c(cnn5C)c4)cc3O)nn2)C[C@H](C)N1
InChIInChI=1S/C23H25N7O/c1-14-12-30(13-15(2)26-14)22-7-5-19(27-28-22)23-21(31)9-17(10-24-23)16-4-6-20-18(8-16)11-25-29(20)3/h4-11,14-15,26,31H,12-13H2,1-3H3/t14-,15+
InChIKeyQEXQAIHXZVAACI-GASCZTMLSA-N
MW415.50 g/mol
LogP2.98
Rot. Bonds3

About 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol

2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287188) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287188
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4ccc5c(cnn5C)c4)cc3O)nn2)C[C@H](C)N1
InChIInChI=1S/C23H25N7O/c1-14-12-30(13-15(2)26-14)22-7-5-19(27-28-22)23-21(31)9-17(10-24-23)16-4-6-20-18(8-16)11-25-29(20)3/h4-11,14-15,26,31H,12-13H2,1-3H3/t14-,15+
InChIKeyQEXQAIHXZVAACI-GASCZTMLSA-N
XLogP2.98
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 156887551
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CID 145963452
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CID 135987478
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CID 130446929
CID 130446929
CID 166151232
CID 166151232
CID 118664278
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CID 134436288
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CID 136662815
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CID 134329906

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol (CID 155287188) is 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol is C[C@@H]1CN(c2ccc(-c3ncc(-c4ccc5c(cnn5C)c4)cc3O)nn2)C[C@H](C)N1.
What is the InChIKey of 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is QEXQAIHXZVAACI-GASCZTMLSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14-12-30(13-15(2)26-14)22-7-5-19(27-28-22)23-21(31)9-17(10-24-23)16-4-6-20-18(8-16)11-25-29(20)3/h4-11,14-15,26,31H,12-13H2,1-3H3/t14-,15+.
What are the key properties of 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol?
2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol has a molecular weight of 415.50 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).