N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide

C23H24ClN7 — CID 163375995

IUPACN'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
SMILESCn1cc(-c2cc3c(NC4CCCC4)c(/C(N)=N/c4ccccc4Cl)cnn3c2)cn1
InChIInChI=1S/C23H24ClN7/c1-30-13-16(11-26-30)15-10-21-22(28-17-6-2-3-7-17)18(12-27-31(21)14-15)23(25)29-20-9-5-4-8-19(20)24/h4-5,8-14,17,28H,2-3,6-7H2,1H3,(H2,25,29)
InChIKeyGMANXPPMKYITOZ-UHFFFAOYSA-N
MW433.95 g/mol
LogP4.78
Rot. Bonds5

About N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide

N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide (PubChem CID 163375995) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
PubChem CID163375995
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC NameN'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
SMILESCn1cc(-c2cc3c(NC4CCCC4)c(/C(N)=N/c4ccccc4Cl)cnn3c2)cn1
InChIInChI=1S/C23H24ClN7/c1-30-13-16(11-26-30)15-10-21-22(28-17-6-2-3-7-17)18(12-27-31(21)14-15)23(25)29-20-9-5-4-8-19(20)24/h4-5,8-14,17,28H,2-3,6-7H2,1H3,(H2,25,29)
InChIKeyGMANXPPMKYITOZ-UHFFFAOYSA-N
XLogP4.78
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide 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 N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?
The IUPAC name of N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide (CID 163375995) is N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide.
What is the SMILES notation for N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?
The canonical SMILES for N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide is Cn1cc(-c2cc3c(NC4CCCC4)c(/C(N)=N/c4ccccc4Cl)cnn3c2)cn1.
What is the InChIKey of N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?
The InChIKey is GMANXPPMKYITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-30-13-16(11-26-30)15-10-21-22(28-17-6-2-3-7-17)18(12-27-31(21)14-15)23(25)29-20-9-5-4-8-19(20)24/h4-5,8-14,17,28H,2-3,6-7H2,1H3,(H2,25,29).
What are the key properties of N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?
N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide has a molecular weight of 433.95 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide is sourced from PubChem (CID 163375995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).