5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide

C19H21ClN6O2 — CID 86662052

IUPAC5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide
SMILESCN1C=CN(c2ccc(Nc3nc(Cl)c(C(C)(C)O)nc3C(N)=O)cc2)C=C1
InChIInChI=1S/C19H21ClN6O2/c1-19(2,28)15-16(20)24-18(14(23-15)17(21)27)22-12-4-6-13(7-5-12)26-10-8-25(3)9-11-26/h4-11,28H,1-3H3,(H2,21,27)(H,22,24)
InChIKeyCDFBLSZEEXKFFP-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide

5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide (PubChem CID 86662052) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide
PubChem CID86662052
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide
SMILESCN1C=CN(c2ccc(Nc3nc(Cl)c(C(C)(C)O)nc3C(N)=O)cc2)C=C1
InChIInChI=1S/C19H21ClN6O2/c1-19(2,28)15-16(20)24-18(14(23-15)17(21)27)22-12-4-6-13(7-5-12)26-10-8-25(3)9-11-26/h4-11,28H,1-3H3,(H2,21,27)(H,22,24)
InChIKeyCDFBLSZEEXKFFP-UHFFFAOYSA-N
XLogP2.89
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide (CID 86662052) is 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide is CN1C=CN(c2ccc(Nc3nc(Cl)c(C(C)(C)O)nc3C(N)=O)cc2)C=C1.
What is the InChIKey of 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is CDFBLSZEEXKFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-19(2,28)15-16(20)24-18(14(23-15)17(21)27)22-12-4-6-13(7-5-12)26-10-8-25(3)9-11-26/h4-11,28H,1-3H3,(H2,21,27)(H,22,24).
What are the key properties of 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide?
5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-hydroxypropan-2-yl)-3-[4-(4-methylpyrazin-1-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 86662052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).