2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H21N5O — CID 126963286

IUPAC2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1ccccc1
InChIInChI=1S/C18H21N5O/c1-11-15(21-12-8-6-5-7-9-12)22-14-13(10-19-16(14)20-11)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyYEWLGDNGGAVSRO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.54
Rot. Bonds3

About 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126963286) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID126963286
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1ccccc1
InChIInChI=1S/C18H21N5O/c1-11-15(21-12-8-6-5-7-9-12)22-14-13(10-19-16(14)20-11)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyYEWLGDNGGAVSRO-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73296269
N-tert-butyl-2-(2-fluoro-4-methylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295444
2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453154
N-tert-butyl-2-[(5-methylsulfinyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144576890
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-2-hydroxybenzamide
CID 139189948
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 154985382
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126963286) is 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YEWLGDNGGAVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-15(21-12-8-6-5-7-9-12)22-14-13(10-19-16(14)20-11)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-tert-butyl-3-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126963286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).