3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide

C24H22ClN7O2 — CID 137430943

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1=O
InChIInChI=1S/C24H22ClN7O2/c1-32-8-7-16(11-18(32)33)28-24(34)22-23(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-12-27-31-19(15)17(25)10-14/h2-6,9-10,12,16H,7-8,11H2,1H3,(H2,26,30)(H,27,31)(H,28,34)
InChIKeyFPUPZKZLQGZWDD-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.27
Rot. Bonds4

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137430943) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID137430943
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1=O
InChIInChI=1S/C24H22ClN7O2/c1-32-8-7-16(11-18(32)33)28-24(34)22-23(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-12-27-31-19(15)17(25)10-14/h2-6,9-10,12,16H,7-8,11H2,1H3,(H2,26,30)(H,27,31)(H,28,34)
InChIKeyFPUPZKZLQGZWDD-UHFFFAOYSA-N
XLogP3.27
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide (CID 137430943) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide is CN1CCC(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1=O.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is FPUPZKZLQGZWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c1-32-8-7-16(11-18(32)33)28-24(34)22-23(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-12-27-31-19(15)17(25)10-14/h2-6,9-10,12,16H,7-8,11H2,1H3,(H2,26,30)(H,27,31)(H,28,34).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).