N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide

C16H18N5S+ — CID 140790853

IUPACN'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide
SMILESC[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1
InChIInChI=1S/C16H18N5S/c1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q+1
InChIKeyNWHSWKRSJLGOSZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds4

About N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide

N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide (PubChem CID 140790853) has the molecular formula C16H18N5S+ and a molecular weight of 312.42 g/mol. Its IUPAC name is N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide
PubChem CID140790853
Molecular FormulaC16H18N5S+
Molecular Weight312.42 g/mol
Exact Mass312.13
IUPAC NameN'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide
SMILESC[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1
InChIInChI=1S/C16H18N5S/c1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q+1
InChIKeyNWHSWKRSJLGOSZ-UHFFFAOYSA-N
XLogP1.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide?
The IUPAC name of N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide (CID 140790853) is N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide?
The canonical SMILES for N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide is C[n+]1ccc2c(cnn2Cc2cc(/C(N)=N/C3CC3)cs2)c1.
What is the InChIKey of N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide?
The InChIKey is NWHSWKRSJLGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N5S/c1-20-5-4-15-12(8-20)7-18-21(15)9-14-6-11(10-22-14)16(17)19-13-2-3-13/h4-8,10,13H,2-3,9H2,1H3,(H2,17,19)/q+1.
What are the key properties of N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide?
N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide has a molecular weight of 312.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophene-3-carboximidamide is sourced from PubChem (CID 140790853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).