1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole

C21H25N5 — CID 5253655

IUPAC1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2cccc(-c3nn(C)c4c3CCCC4)n2)c2c1CCCC2
InChIInChI=1S/C21H25N5/c1-25-18-12-5-3-8-14(18)20(23-25)16-10-7-11-17(22-16)21-15-9-4-6-13-19(15)26(2)24-21/h7,10-11H,3-6,8-9,12-13H2,1-2H3
InChIKeyOLWMVMDCGXNQLZ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.64
Rot. Bonds2

About 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole

1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole (PubChem CID 5253655) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
PubChem CID5253655
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2cccc(-c3nn(C)c4c3CCCC4)n2)c2c1CCCC2
InChIInChI=1S/C21H25N5/c1-25-18-12-5-3-8-14(18)20(23-25)16-10-7-11-17(22-16)21-15-9-4-6-13-19(15)26(2)24-21/h7,10-11H,3-6,8-9,12-13H2,1-2H3
InChIKeyOLWMVMDCGXNQLZ-UHFFFAOYSA-N
XLogP3.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole (CID 5253655) is 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole is Cn1nc(-c2cccc(-c3nn(C)c4c3CCCC4)n2)c2c1CCCC2.
What is the InChIKey of 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is OLWMVMDCGXNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25-18-12-5-3-8-14(18)20(23-25)16-10-7-11-17(22-16)21-15-9-4-6-13-19(15)26(2)24-21/h7,10-11H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 347.47 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 5253655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).