N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C34H32FN11O4 — CID 76684551

IUPACN-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C34H32FN11O4/c1-42-33(44-11-13-45(14-12-44)34(48)26-9-17-50-41-26)30(31(40-42)22-2-4-24(35)5-3-22)25-6-7-28-37-27(21-46(28)39-25)38-32(47)23-8-10-36-29(20-23)43-15-18-49-19-16-43/h2-10,17,20-21H,11-16,18-19H2,1H3,(H,38,47)
InChIKeyGMSYHVJIZPBZNV-UHFFFAOYSA-N
MW677.70 g/mol
LogP3.37
Rot. Bonds7

About N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 76684551) has the molecular formula C34H32FN11O4 and a molecular weight of 677.70 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID76684551
Molecular FormulaC34H32FN11O4
Molecular Weight677.70 g/mol
Exact Mass677.26
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C34H32FN11O4/c1-42-33(44-11-13-45(14-12-44)34(48)26-9-17-50-41-26)30(31(40-42)22-2-4-24(35)5-3-22)25-6-7-28-37-27(21-46(28)39-25)38-32(47)23-8-10-36-29(20-23)43-15-18-49-19-16-43/h2-10,17,20-21H,11-16,18-19H2,1H3,(H,38,47)
InChIKeyGMSYHVJIZPBZNV-UHFFFAOYSA-N
XLogP3.37
TPSA152.05 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 76684551) is N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is GMSYHVJIZPBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN11O4/c1-42-33(44-11-13-45(14-12-44)34(48)26-9-17-50-41-26)30(31(40-42)22-2-4-24(35)5-3-22)25-6-7-28-37-27(21-46(28)39-25)38-32(47)23-8-10-36-29(20-23)43-15-18-49-19-16-43/h2-10,17,20-21H,11-16,18-19H2,1H3,(H,38,47).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 677.70 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 76684551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).