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

C61H46N14O2S — CID 157102456

IUPAC2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
SMILESC1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ccsc3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/C21H16N4S.2C20H15N5O/c1-3-16(12-22-8-1)21(17-4-2-9-23-13-17)7-5-18-19(11-21)24-25-20(18)15-6-10-26-14-15;1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-26-13-23-18;1-3-14(12-21-7-1)20(15-4-2-8-22-13-15)6-5-16-17(11-20)24-25-18(16)19-23-9-10-26-19/h1-10,12-14H,11H2,(H,24,25);1-8,10-13H,9H2,(H,24,25);1-10,12-13H,11H2,(H,24,25)
InChIKeyAFXNNGIMOSSUIG-UHFFFAOYSA-N
MW1039.20 g/mol
LogP11.30
Rot. Bonds9

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

2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole (PubChem CID 157102456) has the molecular formula C61H46N14O2S and a molecular weight of 1039.20 g/mol. Its IUPAC name is 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole.

Molecular Properties

Compound Name2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
PubChem CID157102456
Molecular FormulaC61H46N14O2S
Molecular Weight1039.20 g/mol
Exact Mass1038.36
IUPAC Name2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
SMILESC1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ccsc3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ncco3)c21
InChIInChI=1S/C21H16N4S.2C20H15N5O/c1-3-16(12-22-8-1)21(17-4-2-9-23-13-17)7-5-18-19(11-21)24-25-20(18)15-6-10-26-14-15;1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-26-13-23-18;1-3-14(12-21-7-1)20(15-4-2-8-22-13-15)6-5-16-17(11-20)24-25-18(16)19-23-9-10-26-19/h1-10,12-14H,11H2,(H,24,25);1-8,10-13H,9H2,(H,24,25);1-10,12-13H,11H2,(H,24,25)
InChIKeyAFXNNGIMOSSUIG-UHFFFAOYSA-N
XLogP11.30
TPSA215.44 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.20
LogP ≤ 511.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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

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Related Compounds

N-[5-[3-[4-[4-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-7-yl]furan-3-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide
CID 137034178
2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
CID 140971284
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
2-[6,6-Bis(3-fluorophenyl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;6,6-bis(3-fluorophenyl)-3-thiophen-3-yl-1,7-dihydroindazole
CID 157353636
2-[6-(3,4-Difluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole;6-(3,4-difluorophenyl)-6-phenyl-3-thiophen-3-yl-1,7-dihydroindazole
CID 157391680
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6-phenyl-6-thiophen-2-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 157853246
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
4-[6-Phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 158284265
2-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 158473806
4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(cyclohexylmethyl)-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(cyclopropylmethoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-ethoxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(3-methylbutyl)-2H-pyrazolo[4,3-c]pyridine;2-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-oxazole
CID 158487329
[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4,6-dimethyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(2-methoxyphenyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-pyridin-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 158502913
5-(3-aminopropyl)-3-methyl-8-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1H-pyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1H-pyrazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-thiophen-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-thiophen-3-yl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 158633154

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole?
The IUPAC name of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole (CID 157102456) is 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole.
What is the SMILES notation for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole?
The canonical SMILES for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole is C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ccsc3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ncco3)c21.
What is the InChIKey of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole?
The InChIKey is AFXNNGIMOSSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4S.2C20H15N5O/c1-3-16(12-22-8-1)21(17-4-2-9-23-13-17)7-5-18-19(11-21)24-25-20(18)15-6-10-26-14-15;1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-26-13-23-18;1-3-14(12-21-7-1)20(15-4-2-8-22-13-15)6-5-16-17(11-20)24-25-18(16)19-23-9-10-26-19/h1-10,12-14H,11H2,(H,24,25);1-8,10-13H,9H2,(H,24,25);1-10,12-13H,11H2,(H,24,25).
What are the key properties of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole?
2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole has a molecular weight of 1039.20 g/mol, XLogP of 11.30, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole is sourced from PubChem (CID 157102456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).