N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C15H20N4O3 — CID 141364978

IUPACN-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2nccnc12)C(O)C1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-9(13(20)10-2-6-22-7-3-10)19-15(21)11-8-18-14-12(11)16-4-5-17-14/h4-5,8-10,13,20H,2-3,6-7H2,1H3,(H,17,18)(H,19,21)
InChIKeyDMVWIPJVKNANBK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.86
Rot. Bonds4

About N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 141364978) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID141364978
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2nccnc12)C(O)C1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-9(13(20)10-2-6-22-7-3-10)19-15(21)11-8-18-14-12(11)16-4-5-17-14/h4-5,8-10,13,20H,2-3,6-7H2,1H3,(H,17,18)(H,19,21)
InChIKeyDMVWIPJVKNANBK-UHFFFAOYSA-N
XLogP0.86
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopropyl-N-[(2s)-3-Hydroxy-3-Methylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 44192904
2-Cyclopropyl-N-[(2r)-3-Hydroxy-3-Methylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 54674990
US9617258, Example 249
CID 118115611
US9617258, Example 252b
CID 118115863
US9617258, Example 250
CID 118115925
US9617258, Example 248
CID 118116162
US9617258, Example 252
CID 118116231
US9617258, Example 254
CID 118116513
US9617258, Example 270
CID 118115578
US9617258, Example 231
CID 118115653
US9617258, Example 251b
CID 118115700
US9617258, Example 276
CID 118115730

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 141364978) is N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2nccnc12)C(O)C1CCOCC1.
What is the InChIKey of N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DMVWIPJVKNANBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(13(20)10-2-6-22-7-3-10)19-15(21)11-8-18-14-12(11)16-4-5-17-14/h4-5,8-10,13,20H,2-3,6-7H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 141364978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).