N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

C16H12F2N4O — CID 169097673

IUPACN-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3cc(F)nc(F)c3)cc2cn1)C1CC1
InChIInChI=1S/C16H12F2N4O/c17-13-4-9(5-14(18)21-13)11-3-10-7-19-15(6-12(10)20-11)22-16(23)8-1-2-8/h3-8,20H,1-2H2,(H,19,22,23)
InChIKeyXYWGAUKHTVFDMH-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.25
Rot. Bonds3

About N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 169097673) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID169097673
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3cc(F)nc(F)c3)cc2cn1)C1CC1
InChIInChI=1S/C16H12F2N4O/c17-13-4-9(5-14(18)21-13)11-3-10-7-19-15(6-12(10)20-11)22-16(23)8-1-2-8/h3-8,20H,1-2H2,(H,19,22,23)
InChIKeyXYWGAUKHTVFDMH-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (CID 169097673) is N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc2[nH]c(-c3cc(F)nc(F)c3)cc2cn1)C1CC1.
What is the InChIKey of N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is XYWGAUKHTVFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-13-4-9(5-14(18)21-13)11-3-10-7-19-15(6-12(10)20-11)22-16(23)8-1-2-8/h3-8,20H,1-2H2,(H,19,22,23).
What are the key properties of N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 314.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169097673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).