2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

C19H19N7O — CID 126913161

IUPAC2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cncc(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1
InChIInChI=1S/C19H19N7O/c1-2-15(12-20-7-1)16-3-4-17-22-23-19(26(17)24-16)14-5-9-25(10-6-14)13-18-21-8-11-27-18/h1-4,7-8,11-12,14H,5-6,9-10,13H2
InChIKeyZWWSNKLJXDSUTP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.55
Rot. Bonds4

About 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126913161) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126913161
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cncc(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1
InChIInChI=1S/C19H19N7O/c1-2-15(12-20-7-1)16-3-4-17-22-23-19(26(17)24-16)14-5-9-25(10-6-14)13-18-21-8-11-27-18/h1-4,7-8,11-12,14H,5-6,9-10,13H2
InChIKeyZWWSNKLJXDSUTP-UHFFFAOYSA-N
XLogP2.55
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(oxazol-2-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-6]pyridazin-2-yl)isonicotinamide
CID 118547770
3-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137636612
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
N-[1-(4-methylphenyl)-3-[1-(1,3-oxazol-2-ylmethyl)piperidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357969
N-[1-(4-methylphenyl)-3-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68358052
US10071079, Example 440
CID 132272309
US10071079, Example 446
CID 132272315
US11786528, Example 26
CID 146268710
N,N-diethyl-5-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-2-yl]pyridin-2-amine
CID 172440482
(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 164630961
5-(3-Cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24953203
6-(2,4-Difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
CID 24953204

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 126913161) is 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is c1cncc(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1.
What is the InChIKey of 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is ZWWSNKLJXDSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-2-15(12-20-7-1)16-3-4-17-22-23-19(26(17)24-16)14-5-9-25(10-6-14)13-18-21-8-11-27-18/h1-4,7-8,11-12,14H,5-6,9-10,13H2.
What are the key properties of 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 361.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126913161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).