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

C23H20ClN7O2 — CID 137431585

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CCNC1=O
InChIInChI=1S/C23H20ClN7O2/c24-16-9-14(8-15-11-28-31-17(15)16)19-18(12-4-2-1-3-5-12)30-21(25)20(29-19)23(33)27-10-13-6-7-26-22(13)32/h1-5,8-9,11,13H,6-7,10H2,(H2,25,30)(H,26,32)(H,27,33)(H,28,31)
InChIKeyIQWQIMFSTCYJGK-UHFFFAOYSA-N
MW461.91 g/mol
LogP2.79
Rot. Bonds5

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide (PubChem CID 137431585) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
PubChem CID137431585
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CCNC1=O
InChIInChI=1S/C23H20ClN7O2/c24-16-9-14(8-15-11-28-31-17(15)16)19-18(12-4-2-1-3-5-12)30-21(25)20(29-19)23(33)27-10-13-6-7-26-22(13)32/h1-5,8-9,11,13H,6-7,10H2,(H2,25,30)(H,26,32)(H,27,33)(H,28,31)
InChIKeyIQWQIMFSTCYJGK-UHFFFAOYSA-N
XLogP2.79
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 52.79
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-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide (CID 137431585) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NCC1CCNC1=O.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The InChIKey is IQWQIMFSTCYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c24-16-9-14(8-15-11-28-31-17(15)16)19-18(12-4-2-1-3-5-12)30-21(25)20(29-19)23(33)27-10-13-6-7-26-22(13)32/h1-5,8-9,11,13H,6-7,10H2,(H2,25,30)(H,26,32)(H,27,33)(H,28,31).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 2.79, 5 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-[(2-oxopyrrolidin-3-yl)methyl]-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).