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

C22H18ClN7O2 — CID 137431906

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C22H18ClN7O2/c23-15-7-12(6-13-9-26-30-17(13)15)19-18(11-4-2-1-3-5-11)29-21(24)20(28-19)22(32)27-14-8-16(31)25-10-14/h1-7,9,14H,8,10H2,(H2,24,29)(H,25,31)(H,26,30)(H,27,32)
InChIKeyUOJYBHCIJOZJEC-UHFFFAOYSA-N
MW447.89 g/mol
LogP2.54
Rot. Bonds4

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137431906) has the molecular formula C22H18ClN7O2 and a molecular weight of 447.89 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID137431906
Molecular FormulaC22H18ClN7O2
Molecular Weight447.89 g/mol
Exact Mass447.12
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C22H18ClN7O2/c23-15-7-12(6-13-9-26-30-17(13)15)19-18(11-4-2-1-3-5-11)29-21(24)20(28-19)22(32)27-14-8-16(31)25-10-14/h1-7,9,14H,8,10H2,(H2,24,29)(H,25,31)(H,26,30)(H,27,32)
InChIKeyUOJYBHCIJOZJEC-UHFFFAOYSA-N
XLogP2.54
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 52.54
H-Bond Donors ≤ 54
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-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide (CID 137431906) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is UOJYBHCIJOZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O2/c23-15-7-12(6-13-9-26-30-17(13)15)19-18(11-4-2-1-3-5-11)29-21(24)20(28-19)22(32)27-14-8-16(31)25-10-14/h1-7,9,14H,8,10H2,(H2,24,29)(H,25,31)(H,26,30)(H,27,32).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 447.89 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 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-(5-oxopyrrolidin-3-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).