5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide

C19H24N5O+ — CID 140790663

IUPAC5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide
SMILESC[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)co2)c1
InChIInChI=1S/C19H24N5O/c1-23-7-5-18-14(11-23)4-8-24(18)12-17-9-15(13-25-17)19(20)22-16-3-2-6-21-10-16/h4-5,7-9,11,13,16,21H,2-3,6,10,12H2,1H3,(H2,20,22)/q+1
InChIKeyQZPXCFLOGPGZFL-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.56
Rot. Bonds4

About 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide

5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide (PubChem CID 140790663) has the molecular formula C19H24N5O+ and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide.

Molecular Properties

Compound Name5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide
PubChem CID140790663
Molecular FormulaC19H24N5O+
Molecular Weight338.44 g/mol
Exact Mass338.20
IUPAC Name5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide
SMILESC[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)co2)c1
InChIInChI=1S/C19H24N5O/c1-23-7-5-18-14(11-23)4-8-24(18)12-17-9-15(13-25-17)19(20)22-16-3-2-6-21-10-16/h4-5,7-9,11,13,16,21H,2-3,6,10,12H2,1H3,(H2,20,22)/q+1
InChIKeyQZPXCFLOGPGZFL-UHFFFAOYSA-N
XLogP1.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide?
The IUPAC name of 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide (CID 140790663) is 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide.
What is the SMILES notation for 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide?
The canonical SMILES for 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide is C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)co2)c1.
What is the InChIKey of 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide?
The InChIKey is QZPXCFLOGPGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N5O/c1-23-7-5-18-14(11-23)4-8-24(18)12-17-9-15(13-25-17)19(20)22-16-3-2-6-21-10-16/h4-5,7-9,11,13,16,21H,2-3,6,10,12H2,1H3,(H2,20,22)/q+1.
What are the key properties of 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide?
5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide has a molecular weight of 338.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide is sourced from PubChem (CID 140790663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).