2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole

C40H30N10O2 — CID 158177629

IUPAC2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
SMILESC1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/2C20H15N5O/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)13-17-16(1)18(25-24-17)19-23-11-12-26-19/h1-10,12-13H,11H2,(H,24,25);1-12H,13H2,(H,24,25)
InChIKeyFYEQBOYSHUZBBH-UHFFFAOYSA-N
MW682.75 g/mol
LogP6.82
Rot. Bonds6

About 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole

2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (PubChem CID 158177629) has the molecular formula C40H30N10O2 and a molecular weight of 682.75 g/mol. Its IUPAC name is 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
PubChem CID158177629
Molecular FormulaC40H30N10O2
Molecular Weight682.75 g/mol
Exact Mass682.26
IUPAC Name2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
SMILESC1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/2C20H15N5O/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)13-17-16(1)18(25-24-17)19-23-11-12-26-19/h1-10,12-13H,11H2,(H,24,25);1-12H,13H2,(H,24,25)
InChIKeyFYEQBOYSHUZBBH-UHFFFAOYSA-N
XLogP6.82
TPSA160.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.75
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole with MolForge

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Related Compounds

3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842
US11242343, Example 29
CID 134327889
2-(6,6-Dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21928698
4-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929039
2-(6-Phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929084
2-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929124
2-(6-Phenyl-6-pyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929346
4-(6,6-Dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929495
2-(6-Phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929582
2-(6,6-Dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21930139
2-(5,5-Diphenyl-2,4-dihydroisoindol-1-yl)-1,3-oxazole;4-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-1,3-oxazole
CID 69839669
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137034179

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (CID 158177629) is 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21.
What is the InChIKey of 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The InChIKey is FYEQBOYSHUZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N5O/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)13-17-16(1)18(25-24-17)19-23-11-12-26-19/h1-10,12-13H,11H2,(H,24,25);1-12H,13H2,(H,24,25).
What are the key properties of 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole has a molecular weight of 682.75 g/mol, XLogP of 6.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 158177629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).