(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone

C28H20Cl6N8O2 — CID 157329350

IUPAC(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone
SMILESCc1nc(C(=O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl.Cc1nc(C(O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl
InChIInChI=1S/C14H11Cl3N4O.C14H9Cl3N4O/c2*1-6-13(16)19-14(17)11(18-6)12(22)7-3-4-9-8(10(7)15)5-21(2)20-9/h3-5,12,22H,1-2H3;3-5H,1-2H3
InChIKeyBFCJWIUZTXKZOP-UHFFFAOYSA-N
MW713.24 g/mol
LogP7.58
Rot. Bonds4

About (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone

(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone (PubChem CID 157329350) has the molecular formula C28H20Cl6N8O2 and a molecular weight of 713.24 g/mol. Its IUPAC name is (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone
PubChem CID157329350
Molecular FormulaC28H20Cl6N8O2
Molecular Weight713.24 g/mol
Exact Mass709.98
IUPAC Name(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone
SMILESCc1nc(C(=O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl.Cc1nc(C(O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl
InChIInChI=1S/C14H11Cl3N4O.C14H9Cl3N4O/c2*1-6-13(16)19-14(17)11(18-6)12(22)7-3-4-9-8(10(7)15)5-21(2)20-9/h3-5,12,22H,1-2H3;3-5H,1-2H3
InChIKeyBFCJWIUZTXKZOP-UHFFFAOYSA-N
XLogP7.58
TPSA124.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.24
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone?
The IUPAC name of (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone (CID 157329350) is (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone?
The canonical SMILES for (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone is Cc1nc(C(=O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl.Cc1nc(C(O)c2ccc3nn(C)cc3c2Cl)c(Cl)nc1Cl.
What is the InChIKey of (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone?
The InChIKey is BFCJWIUZTXKZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O.C14H9Cl3N4O/c2*1-6-13(16)19-14(17)11(18-6)12(22)7-3-4-9-8(10(7)15)5-21(2)20-9/h3-5,12,22H,1-2H3;3-5H,1-2H3.
What are the key properties of (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone?
(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone has a molecular weight of 713.24 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanol;(4-chloro-2-methylindazol-5-yl)-(3,5-dichloro-6-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 157329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).