2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H24N6O — CID 126606067

IUPAC2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILES[H]/N=C(\c1cnc2[nH]cc(C(=O)NC(C)(C)C3CC3)c2n1)c1ccc(C)cc1N
InChIInChI=1S/C21H24N6O/c1-11-4-7-13(15(22)8-11)17(23)16-10-25-19-18(26-16)14(9-24-19)20(28)27-21(2,3)12-5-6-12/h4,7-10,12,23H,5-6,22H2,1-3H3,(H,24,25)(H,27,28)/b23-17-
InChIKeyLKLRLEXVQJPCHN-QJOMJCCJSA-N
MW376.46 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126606067) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID126606067
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILES[H]/N=C(\c1cnc2[nH]cc(C(=O)NC(C)(C)C3CC3)c2n1)c1ccc(C)cc1N
InChIInChI=1S/C21H24N6O/c1-11-4-7-13(15(22)8-11)17(23)16-10-25-19-18(26-16)14(9-24-19)20(28)27-21(2,3)12-5-6-12/h4,7-10,12,23H,5-6,22H2,1-3H3,(H,24,25)(H,27,28)/b23-17-
InChIKeyLKLRLEXVQJPCHN-QJOMJCCJSA-N
XLogP3.18
TPSA120.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126606067) is 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is [H]/N=C(\c1cnc2[nH]cc(C(=O)NC(C)(C)C3CC3)c2n1)c1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LKLRLEXVQJPCHN-QJOMJCCJSA-N. The full InChI is InChI=1S/C21H24N6O/c1-11-4-7-13(15(22)8-11)17(23)16-10-25-19-18(26-16)14(9-24-19)20(28)27-21(2,3)12-5-6-12/h4,7-10,12,23H,5-6,22H2,1-3H3,(H,24,25)(H,27,28)/b23-17-.
What are the key properties of 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylbenzenecarboximidoyl)-N-(2-cyclopropylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126606067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).