N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide

C16H16BrN5O — CID 162687584

IUPACN-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2[nH]c3nccnc3c2Br)ccn1
InChIInChI=1S/C16H16BrN5O/c1-16(2,3)15(23)21-10-8-9(4-5-18-10)12-11(17)13-14(22-12)20-7-6-19-13/h4-8H,1-3H3,(H,20,22)(H,18,21,23)
InChIKeyWLQPHARVBXHPEL-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.77
Rot. Bonds2

About N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide

N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 162687584) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID162687584
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC NameN-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2[nH]c3nccnc3c2Br)ccn1
InChIInChI=1S/C16H16BrN5O/c1-16(2,3)15(23)21-10-8-9(4-5-18-10)12-11(17)13-14(22-12)20-7-6-19-13/h4-8H,1-3H3,(H,20,22)(H,18,21,23)
InChIKeyWLQPHARVBXHPEL-UHFFFAOYSA-N
XLogP3.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 162687584) is N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2[nH]c3nccnc3c2Br)ccn1.
What is the InChIKey of N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is WLQPHARVBXHPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-16(2,3)15(23)21-10-8-9(4-5-18-10)12-11(17)13-14(22-12)20-7-6-19-13/h4-8H,1-3H3,(H,20,22)(H,18,21,23).
What are the key properties of N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 374.24 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162687584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).