(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone

C14H14IN3OS — CID 75370077

IUPAC(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C14H14IN3OS/c15-13-5-9(7-20-13)14(19)17-4-3-12-11(6-17)16-8-18(12)10-1-2-10/h5,7-8,10H,1-4,6H2
InChIKeyDASIBWZACXBXFX-UHFFFAOYSA-N
MW399.26 g/mol
LogP3.08
Rot. Bonds2

About (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone

(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 75370077) has the molecular formula C14H14IN3OS and a molecular weight of 399.26 g/mol. Its IUPAC name is (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID75370077
Molecular FormulaC14H14IN3OS
Molecular Weight399.26 g/mol
Exact Mass398.99
IUPAC Name(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C14H14IN3OS/c15-13-5-9(7-20-13)14(19)17-4-3-12-11(6-17)16-8-18(12)10-1-2-10/h5,7-8,10H,1-4,6H2
InChIKeyDASIBWZACXBXFX-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone (CID 75370077) is (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCc2c(ncn2C2CC2)C1.
What is the InChIKey of (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is DASIBWZACXBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3OS/c15-13-5-9(7-20-13)14(19)17-4-3-12-11(6-17)16-8-18(12)10-1-2-10/h5,7-8,10H,1-4,6H2.
What are the key properties of (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone?
(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 399.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 75370077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).