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

C42H32N8O2 — CID 157181198

IUPAC2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
SMILESC1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/2C21H16N4O/c1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(12-21)24-25-20(17)19-13-26-14-23-19;1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(14-21)24-25-19(17)20-23-12-13-26-20/h1-11,13-14H,12H2,(H,24,25);1-13H,14H2,(H,24,25)
InChIKeyAOOWOGVBRUVHCW-UHFFFAOYSA-N
MW680.77 g/mol
LogP8.03
Rot. Bonds6

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

2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (PubChem CID 157181198) has the molecular formula C42H32N8O2 and a molecular weight of 680.77 g/mol. Its IUPAC name is 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
PubChem CID157181198
Molecular FormulaC42H32N8O2
Molecular Weight680.77 g/mol
Exact Mass680.26
IUPAC Name2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
SMILESC1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/2C21H16N4O/c1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(12-21)24-25-20(17)19-13-26-14-23-19;1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(14-21)24-25-19(17)20-23-12-13-26-20/h1-11,13-14H,12H2,(H,24,25);1-13H,14H2,(H,24,25)
InChIKeyAOOWOGVBRUVHCW-UHFFFAOYSA-N
XLogP8.03
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,3-oxazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366024
3-Tert-butyl-5-[6-(furan-3-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365675
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
(18E)-4-fluoro-11,14-dimethyl-16-[2-[(18E)-5-methyl-8,11-dioxa-4,5,21,22,25-pentazapentacyclo[18.5.2.02,6.012,17.023,27]heptacosa-1(26),2(6),3,12,14,16,18,20(27),22,24-decaen-24-yl]ethyl]-8-oxa-11,14,15,21,22,25-hexazapentacyclo[18.5.2.02,7.013,17.023,27]heptacosa-1(25),2(7),3,5,13(17),15,18,20,23,26-decaen-12-one
CID 164538294
[(1R,5S,6S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-1-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]methanone
CID 170521205
2-(6,6-Dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21928698
N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]aniline
CID 21928775
2-[6-(4-Methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929031
4-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929039
2-[6-(3-Methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929075
4-(6-Phenyl-6-pyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929079
2-(6-Phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929084

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (CID 157181198) is 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is C1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2ccccc2)(c2ccncc2)Cc2[nH]nc(-c3ncco3)c21.
What is the InChIKey of 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
The InChIKey is AOOWOGVBRUVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16N4O/c1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(12-21)24-25-20(17)19-13-26-14-23-19;1-2-4-15(5-3-1)21(16-7-10-22-11-8-16)9-6-17-18(14-21)24-25-19(17)20-23-12-13-26-20/h1-11,13-14H,12H2,(H,24,25);1-13H,14H2,(H,24,25).
What are the key properties of 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?
2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole has a molecular weight of 680.77 g/mol, XLogP of 8.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 157181198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).