[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone

C24H17ClN6O2 — CID 137431749

IUPAC[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1
InChIInChI=1S/C24H17ClN6O2/c1-33-16-7-8-18(27-12-16)23(32)22-24(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-11-28-31-19(15)17(25)10-14/h2-12H,1H3,(H2,26,30)(H,28,31)
InChIKeyBRNCQLRRUYGBHY-UHFFFAOYSA-N
MW456.89 g/mol
LogP4.56
Rot. Bonds5

About [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone

[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone (PubChem CID 137431749) has the molecular formula C24H17ClN6O2 and a molecular weight of 456.89 g/mol. Its IUPAC name is [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone
PubChem CID137431749
Molecular FormulaC24H17ClN6O2
Molecular Weight456.89 g/mol
Exact Mass456.11
IUPAC Name[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1
InChIInChI=1S/C24H17ClN6O2/c1-33-16-7-8-18(27-12-16)23(32)22-24(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-11-28-31-19(15)17(25)10-14/h2-12H,1H3,(H2,26,30)(H,28,31)
InChIKeyBRNCQLRRUYGBHY-UHFFFAOYSA-N
XLogP4.56
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone?
The IUPAC name of [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone (CID 137431749) is [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone is COc1ccc(C(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.
What is the InChIKey of [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone?
The InChIKey is BRNCQLRRUYGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2/c1-33-16-7-8-18(27-12-16)23(32)22-24(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-11-28-31-19(15)17(25)10-14/h2-12H,1H3,(H2,26,30)(H,28,31).
What are the key properties of [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone?
[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone has a molecular weight of 456.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 137431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).