N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C32H30F2N10O — CID 118539006

IUPACN-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nn(C)cc1CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1
InChIInChI=1S/C32H30F2N10O/c1-20-23(16-41(2)39-20)17-42-13-10-25(11-14-42)43-19-36-30(21-3-5-24(33)6-4-21)31(43)26-7-8-29-37-28(18-44(29)40-26)38-32(45)22-9-12-35-27(34)15-22/h3-9,12,15-16,18-19,25H,10-11,13-14,17H2,1-2H3,(H,38,45)
InChIKeyKNPVWXBCYSNVIK-UHFFFAOYSA-N
MW608.66 g/mol
LogP5.06
Rot. Bonds7

About N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118539006) has the molecular formula C32H30F2N10O and a molecular weight of 608.66 g/mol. Its IUPAC name is N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118539006
Molecular FormulaC32H30F2N10O
Molecular Weight608.66 g/mol
Exact Mass608.26
IUPAC NameN-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nn(C)cc1CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1
InChIInChI=1S/C32H30F2N10O/c1-20-23(16-41(2)39-20)17-42-13-10-25(11-14-42)43-19-36-30(21-3-5-24(33)6-4-21)31(43)26-7-8-29-37-28(18-44(29)40-26)38-32(45)22-9-12-35-27(34)15-22/h3-9,12,15-16,18-19,25H,10-11,13-14,17H2,1-2H3,(H,38,45)
InChIKeyKNPVWXBCYSNVIK-UHFFFAOYSA-N
XLogP5.06
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide 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

Selitrectinib
CID 129103609
Pimitespib
CID 67501411
Tuvusertib
CID 90199447
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
GSK-3|A inhibitor 13
CID 134551592
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidazo[4,5-b]pyridin-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646189
1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidazo[4,5-b]pyridin-3-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646192
N-[5-(2-Fluorophenyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]-5-({[(3r,4r)-3-Fluoropiperidin-4-Yl]methyl}amino)pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 71307955
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 25101485
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118539006) is N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is Cc1nn(C)cc1CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1.
What is the InChIKey of N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is KNPVWXBCYSNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N10O/c1-20-23(16-41(2)39-20)17-42-13-10-25(11-14-42)43-19-36-30(21-3-5-24(33)6-4-21)31(43)26-7-8-29-37-28(18-44(29)40-26)38-32(45)22-9-12-35-27(34)15-22/h3-9,12,15-16,18-19,25H,10-11,13-14,17H2,1-2H3,(H,38,45).
What are the key properties of N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 608.66 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118539006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).