1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one

C19H17ClN8O — CID 137430714

IUPAC1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one
SMILESCn1ccc(-c2nc(N)c(N3CCCC3=O)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H17ClN8O/c1-27-6-4-13(26-27)17-16(10-7-11-9-22-25-15(11)12(20)8-10)24-19(18(21)23-17)28-5-2-3-14(28)29/h4,6-9H,2-3,5H2,1H3,(H2,21,23)(H,22,25)
InChIKeyXTNHPVNAAVVBNM-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.78
Rot. Bonds3

About 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one

1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one (PubChem CID 137430714) has the molecular formula C19H17ClN8O and a molecular weight of 408.85 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one
PubChem CID137430714
Molecular FormulaC19H17ClN8O
Molecular Weight408.85 g/mol
Exact Mass408.12
IUPAC Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one
SMILESCn1ccc(-c2nc(N)c(N3CCCC3=O)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H17ClN8O/c1-27-6-4-13(26-27)17-16(10-7-11-9-22-25-15(11)12(20)8-10)24-19(18(21)23-17)28-5-2-3-14(28)29/h4,6-9H,2-3,5H2,1H3,(H2,21,23)(H,22,25)
InChIKeyXTNHPVNAAVVBNM-UHFFFAOYSA-N
XLogP2.78
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one (CID 137430714) is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one is Cn1ccc(-c2nc(N)c(N3CCCC3=O)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one?
The InChIKey is XTNHPVNAAVVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O/c1-27-6-4-13(26-27)17-16(10-7-11-9-22-25-15(11)12(20)8-10)24-19(18(21)23-17)28-5-2-3-14(28)29/h4,6-9H,2-3,5H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one?
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one has a molecular weight of 408.85 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 137430714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).