5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine

C18H14ClN5O — CID 137430974

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
SMILESCOc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C18H14ClN5O/c1-25-18-17(20)22-15(10-5-3-2-4-6-10)16(23-18)11-7-12-9-21-24-14(12)13(19)8-11/h2-9H,1H3,(H2,20,22)(H,21,24)
InChIKeyOZSYXZQDBVXZOZ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.93
Rot. Bonds3

About 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine (PubChem CID 137430974) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
PubChem CID137430974
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
SMILESCOc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C18H14ClN5O/c1-25-18-17(20)22-15(10-5-3-2-4-6-10)16(23-18)11-7-12-9-21-24-14(12)13(19)8-11/h2-9H,1H3,(H2,20,22)(H,21,24)
InChIKeyOZSYXZQDBVXZOZ-UHFFFAOYSA-N
XLogP3.93
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine (CID 137430974) is 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine is COc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine?
The InChIKey is OZSYXZQDBVXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-25-18-17(20)22-15(10-5-3-2-4-6-10)16(23-18)11-7-12-9-21-24-14(12)13(19)8-11/h2-9H,1H3,(H2,20,22)(H,21,24).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine has a molecular weight of 351.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).