1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole

C30H36N6 — CID 58250526

IUPAC1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole
SMILESCc1nc(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)nc(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C30H36N6/c1-13-15(3)19(7)27-25(17(13)5)21(9)33-35(27)29-23(11)31-30(32-24(29)12)36-28-20(8)16(4)14(2)18(6)26(28)22(10)34-36/h1-12H3
InChIKeyQORWYZWKCXKTQN-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.86
Rot. Bonds2

About 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole

1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole (PubChem CID 58250526) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole
PubChem CID58250526
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole
SMILESCc1nc(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)nc(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C30H36N6/c1-13-15(3)19(7)27-25(17(13)5)21(9)33-35(27)29-23(11)31-30(32-24(29)12)36-28-20(8)16(4)14(2)18(6)26(28)22(10)34-36/h1-12H3
InChIKeyQORWYZWKCXKTQN-UHFFFAOYSA-N
XLogP6.86
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole?
The IUPAC name of 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole (CID 58250526) is 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole.
What is the SMILES notation for 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole?
The canonical SMILES for 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole is Cc1nc(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)nc(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole?
The InChIKey is QORWYZWKCXKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6/c1-13-15(3)19(7)27-25(17(13)5)21(9)33-35(27)29-23(11)31-30(32-24(29)12)36-28-20(8)16(4)14(2)18(6)26(28)22(10)34-36/h1-12H3.
What are the key properties of 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole?
1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole has a molecular weight of 480.66 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole is sourced from PubChem (CID 58250526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).