N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

C16H13FN4O — CID 169097714

IUPACN-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccc(F)cn3)cc2cn1)C1CC1
InChIInChI=1S/C16H13FN4O/c17-11-3-4-12(18-8-11)14-5-10-7-19-15(6-13(10)20-14)21-16(22)9-1-2-9/h3-9,20H,1-2H2,(H,19,21,22)
InChIKeyKMBRNAJDEPINIS-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.11
Rot. Bonds3

About N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 169097714) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID169097714
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccc(F)cn3)cc2cn1)C1CC1
InChIInChI=1S/C16H13FN4O/c17-11-3-4-12(18-8-11)14-5-10-7-19-15(6-13(10)20-14)21-16(22)9-1-2-9/h3-9,20H,1-2H2,(H,19,21,22)
InChIKeyKMBRNAJDEPINIS-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (CID 169097714) is N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc2[nH]c(-c3ccc(F)cn3)cc2cn1)C1CC1.
What is the InChIKey of N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is KMBRNAJDEPINIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-11-3-4-12(18-8-11)14-5-10-7-19-15(6-13(10)20-14)21-16(22)9-1-2-9/h3-9,20H,1-2H2,(H,19,21,22).
What are the key properties of N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 296.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169097714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).