N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H20N6O3S — CID 73295949

IUPACN-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)nc3)nc12
InChIInChI=1S/C17H20N6O3S/c1-17(2,3)23-16(24)11-8-19-15-14(11)22-12(9-20-15)21-10-5-6-13(18-7-10)27(4,25)26/h5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyYVQCRCRRJDSFBX-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.03
Rot. Bonds4

About N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295949) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295949
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)nc3)nc12
InChIInChI=1S/C17H20N6O3S/c1-17(2,3)23-16(24)11-8-19-15-14(11)22-12(9-20-15)21-10-5-6-13(18-7-10)27(4,25)26/h5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyYVQCRCRRJDSFBX-UHFFFAOYSA-N
XLogP2.03
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295949) is N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)nc3)nc12.
What is the InChIKey of N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YVQCRCRRJDSFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-17(2,3)23-16(24)11-8-19-15-14(11)22-12(9-20-15)21-10-5-6-13(18-7-10)27(4,25)26/h5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-methylsulfonyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).