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]-3-morpholin-2-ylpyridine-4-carboxamide

C34H32FN11O4 — CID 126598013

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]-3-morpholin-2-ylpyridine-4-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4C4CNCCO4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C34H32FN11O4/c1-43-33(44-12-14-45(15-13-44)34(48)26-9-16-50-42-26)30(31(41-43)21-2-4-22(35)5-3-21)25-6-7-29-38-28(20-46(29)40-25)39-32(47)23-8-10-36-18-24(23)27-19-37-11-17-49-27/h2-10,16,18,20,27,37H,11-15,17,19H2,1H3,(H,39,47)
InChIKeyDUJRFLUFWVPASK-UHFFFAOYSA-N
MW677.70 g/mol
LogP3.19
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]-3-morpholin-2-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]-3-morpholin-2-ylpyridine-4-carboxamide (PubChem CID 126598013) 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]-3-morpholin-2-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]-3-morpholin-2-ylpyridine-4-carboxamide
PubChem CID126598013
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]-3-morpholin-2-ylpyridine-4-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4C4CNCCO4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C34H32FN11O4/c1-43-33(44-12-14-45(15-13-44)34(48)26-9-16-50-42-26)30(31(41-43)21-2-4-22(35)5-3-21)25-6-7-29-38-28(20-46(29)40-25)39-32(47)23-8-10-36-18-24(23)27-19-37-11-17-49-27/h2-10,16,18,20,27,37H,11-15,17,19H2,1H3,(H,39,47)
InChIKeyDUJRFLUFWVPASK-UHFFFAOYSA-N
XLogP3.19
TPSA160.84 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.70
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 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]-3-morpholin-2-ylpyridine-4-carboxamide with MolForge

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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]-3-morpholin-2-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]-3-morpholin-2-ylpyridine-4-carboxamide (CID 126598013) 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]-3-morpholin-2-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]-3-morpholin-2-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]-3-morpholin-2-ylpyridine-4-carboxamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4C4CNCCO4)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]-3-morpholin-2-ylpyridine-4-carboxamide?
The InChIKey is DUJRFLUFWVPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN11O4/c1-43-33(44-12-14-45(15-13-44)34(48)26-9-16-50-42-26)30(31(41-43)21-2-4-22(35)5-3-21)25-6-7-29-38-28(20-46(29)40-25)39-32(47)23-8-10-36-18-24(23)27-19-37-11-17-49-27/h2-10,16,18,20,27,37H,11-15,17,19H2,1H3,(H,39,47).
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]-3-morpholin-2-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]-3-morpholin-2-ylpyridine-4-carboxamide has a molecular weight of 677.70 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 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]-3-morpholin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 126598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).