N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C30H26F2N8O2 — CID 118539002

IUPACN-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC1(C)CC1C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1
InChIInChI=1S/C30H26F2N8O2/c1-30(2)14-20(30)29(42)38-11-12-39-25(16-38)36-26(17-3-5-19(31)6-4-17)27(39)21-7-8-24-34-23(15-40(24)37-21)35-28(41)18-9-10-33-22(32)13-18/h3-10,13,15,20H,11-12,14,16H2,1-2H3,(H,35,41)
InChIKeyQHPWRGLOGPCSRX-UHFFFAOYSA-N
MW568.59 g/mol
LogP4.57
Rot. Bonds5

About N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118539002) has the molecular formula C30H26F2N8O2 and a molecular weight of 568.59 g/mol. Its IUPAC name is N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118539002
Molecular FormulaC30H26F2N8O2
Molecular Weight568.59 g/mol
Exact Mass568.21
IUPAC NameN-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC1(C)CC1C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1
InChIInChI=1S/C30H26F2N8O2/c1-30(2)14-20(30)29(42)38-11-12-39-25(16-38)36-26(17-3-5-19(31)6-4-17)27(39)21-7-8-24-34-23(15-40(24)37-21)35-28(41)18-9-10-33-22(32)13-18/h3-10,13,15,20H,11-12,14,16H2,1-2H3,(H,35,41)
InChIKeyQHPWRGLOGPCSRX-UHFFFAOYSA-N
XLogP4.57
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118539002) is N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is CC1(C)CC1C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1.
What is the InChIKey of N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is QHPWRGLOGPCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N8O2/c1-30(2)14-20(30)29(42)38-11-12-39-25(16-38)36-26(17-3-5-19(31)6-4-17)27(39)21-7-8-24-34-23(15-40(24)37-21)35-28(41)18-9-10-33-22(32)13-18/h3-10,13,15,20H,11-12,14,16H2,1-2H3,(H,35,41).
What are the key properties of N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 568.59 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(2,2-dimethylcyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118539002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).