N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H21N7O — CID 73296269

IUPACN-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1
InChIInChI=1S/C16H21N7O/c1-9-13(20-10-6-18-23(5)8-10)21-12-11(7-17-14(12)19-9)15(24)22-16(2,3)4/h6-8H,1-5H3,(H,17,19)(H,20,21)(H,22,24)
InChIKeySBNJPXLAAWDUFI-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.27
Rot. Bonds3

About N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73296269) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73296269
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1
InChIInChI=1S/C16H21N7O/c1-9-13(20-10-6-18-23(5)8-10)21-12-11(7-17-14(12)19-9)15(24)22-16(2,3)4/h6-8H,1-5H3,(H,17,19)(H,20,21)(H,22,24)
InChIKeySBNJPXLAAWDUFI-UHFFFAOYSA-N
XLogP2.27
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73296269) is N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1.
What is the InChIKey of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SBNJPXLAAWDUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-9-13(20-10-6-18-23(5)8-10)21-12-11(7-17-14(12)19-9)15(24)22-16(2,3)4/h6-8H,1-5H3,(H,17,19)(H,20,21)(H,22,24).
What are the key properties of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).