4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine

C24H27FN6O — CID 24746385

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C24H27FN6O/c1-30(2)16-17-10-13-31-21(15-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-12-27-24(28-20)26-11-4-14-32-3/h5-10,12-13,15H,4,11,14,16H2,1-3H3,(H,26,27,28)
InChIKeyXZIFPNGYBYCPEQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.11
Rot. Bonds9

About 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 24746385) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID24746385
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C24H27FN6O/c1-30(2)16-17-10-13-31-21(15-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-12-27-24(28-20)26-11-4-14-32-3/h5-10,12-13,15H,4,11,14,16H2,1-3H3,(H,26,27,28)
InChIKeyXZIFPNGYBYCPEQ-UHFFFAOYSA-N
XLogP4.11
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Abemaciclib
CID 46220502
Miransertib
CID 53262401
SB-220025
CID 5164
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Fadraciclib
CID 24983461
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Gsk-3494245
CID 126571915
VK-19911
CID 9797240
SB-242235
CID 9863367

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine (CID 24746385) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine is COCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is XZIFPNGYBYCPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-30(2)16-17-10-13-31-21(15-17)29-22(18-5-7-19(25)8-6-18)23(31)20-9-12-27-24(28-20)26-11-4-14-32-3/h5-10,12-13,15H,4,11,14,16H2,1-3H3,(H,26,27,28).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 434.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 24746385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).