3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole

C33H45N5O2 — CID 126578320

IUPAC3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole
SMILESCC1(C)CCCc2c1nn(C1CCCCO1)c2-c1cccc(-c2c3c(nn2C2CCCCO2)C(C)(C)CCC3)n1
InChIInChI=1S/C33H45N5O2/c1-32(2)18-10-12-22-28(37(35-30(22)32)26-16-5-7-20-39-26)24-14-9-15-25(34-24)29-23-13-11-19-33(3,4)31(23)36-38(29)27-17-6-8-21-40-27/h9,14-15,26-27H,5-8,10-13,16-21H2,1-4H3
InChIKeyKZXPQZWQTMTHGB-UHFFFAOYSA-N
MW543.76 g/mol
LogP7.43
Rot. Bonds4

About 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole

3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole (PubChem CID 126578320) has the molecular formula C33H45N5O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole.

Molecular Properties

Compound Name3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole
PubChem CID126578320
Molecular FormulaC33H45N5O2
Molecular Weight543.76 g/mol
Exact Mass543.36
IUPAC Name3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole
SMILESCC1(C)CCCc2c1nn(C1CCCCO1)c2-c1cccc(-c2c3c(nn2C2CCCCO2)C(C)(C)CCC3)n1
InChIInChI=1S/C33H45N5O2/c1-32(2)18-10-12-22-28(37(35-30(22)32)26-16-5-7-20-39-26)24-14-9-15-25(34-24)29-23-13-11-19-33(3,4)31(23)36-38(29)27-17-6-8-21-40-27/h9,14-15,26-27H,5-8,10-13,16-21H2,1-4H3
InChIKeyKZXPQZWQTMTHGB-UHFFFAOYSA-N
XLogP7.43
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole?
The IUPAC name of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole (CID 126578320) is 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole.
What is the SMILES notation for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole?
The canonical SMILES for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole is CC1(C)CCCc2c1nn(C1CCCCO1)c2-c1cccc(-c2c3c(nn2C2CCCCO2)C(C)(C)CCC3)n1.
What is the InChIKey of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole?
The InChIKey is KZXPQZWQTMTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O2/c1-32(2)18-10-12-22-28(37(35-30(22)32)26-16-5-7-20-39-26)24-14-9-15-25(34-24)29-23-13-11-19-33(3,4)31(23)36-38(29)27-17-6-8-21-40-27/h9,14-15,26-27H,5-8,10-13,16-21H2,1-4H3.
What are the key properties of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole?
3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole has a molecular weight of 543.76 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole is sourced from PubChem (CID 126578320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).