5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide

C11H8N4O2 — CID 68920726

IUPAC5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
SMILESNC(=O)c1ccc(-c2ncnc3[nH]ccc23)o1
InChIInChI=1S/C11H8N4O2/c12-10(16)8-2-1-7(17-8)9-6-3-4-13-11(6)15-5-14-9/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyKNVFGLUWOUZJTC-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.32
Rot. Bonds2

About 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide

5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide (PubChem CID 68920726) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
PubChem CID68920726
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
SMILESNC(=O)c1ccc(-c2ncnc3[nH]ccc23)o1
InChIInChI=1S/C11H8N4O2/c12-10(16)8-2-1-7(17-8)9-6-3-4-13-11(6)15-5-14-9/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyKNVFGLUWOUZJTC-UHFFFAOYSA-N
XLogP1.32
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide (CID 68920726) is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide is NC(=O)c1ccc(-c2ncnc3[nH]ccc23)o1.
What is the InChIKey of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide?
The InChIKey is KNVFGLUWOUZJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-10(16)8-2-1-7(17-8)9-6-3-4-13-11(6)15-5-14-9/h1-5H,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide?
5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide has a molecular weight of 228.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 68920726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).