4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide

C20H23F2N7O2 — CID 90155041

IUPAC4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
InChIInChI=1S/C20H23F2N7O2/c1-19(2,31)20(21,22)11-25-18(30)13-10-24-16(9-14(13)26-12-3-4-12)27-15-5-6-17-23-7-8-29(17)28-15/h5-10,12,31H,3-4,11H2,1-2H3,(H,25,30)(H2,24,26,27,28)
InChIKeyKXZJMUAGWHCVIX-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.58
Rot. Bonds8

About 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide (PubChem CID 90155041) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
PubChem CID90155041
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Name4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
InChIInChI=1S/C20H23F2N7O2/c1-19(2,31)20(21,22)11-25-18(30)13-10-24-16(9-14(13)26-12-3-4-12)27-15-5-6-17-23-7-8-29(17)28-15/h5-10,12,31H,3-4,11H2,1-2H3,(H,25,30)(H2,24,26,27,28)
InChIKeyKXZJMUAGWHCVIX-UHFFFAOYSA-N
XLogP2.58
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide 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 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide (CID 90155041) is 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is KXZJMUAGWHCVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-19(2,31)20(21,22)11-25-18(30)13-10-24-16(9-14(13)26-12-3-4-12)27-15-5-6-17-23-7-8-29(17)28-15/h5-10,12,31H,3-4,11H2,1-2H3,(H,25,30)(H2,24,26,27,28).
What are the key properties of 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).