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

C41H46N10 — CID 10532557

IUPAC1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2cccc(-c3nn(Cn4nc(-c5cccc(-c6nn(C)c7c6CCCC7)n5)c5c4CCCC5)c4c3CCCC4)n2)c2c1CCCC2
InChIInChI=1S/C41H46N10/c1-48-34-21-7-3-13-26(34)38(44-48)30-17-11-19-32(42-30)40-28-15-5-9-23-36(28)50(46-40)25-51-37-24-10-6-16-29(37)41(47-51)33-20-12-18-31(43-33)39-27-14-4-8-22-35(27)49(2)45-39/h11-12,17-20H,3-10,13-16,21-25H2,1-2H3
InChIKeyVEHUNYOPFROENI-UHFFFAOYSA-N
MW678.89 g/mol
LogP7.03
Rot. Bonds6

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

1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole (PubChem CID 10532557) has the molecular formula C41H46N10 and a molecular weight of 678.89 g/mol. Its IUPAC name is 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole
PubChem CID10532557
Molecular FormulaC41H46N10
Molecular Weight678.89 g/mol
Exact Mass678.39
IUPAC Name1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2cccc(-c3nn(Cn4nc(-c5cccc(-c6nn(C)c7c6CCCC7)n5)c5c4CCCC5)c4c3CCCC4)n2)c2c1CCCC2
InChIInChI=1S/C41H46N10/c1-48-34-21-7-3-13-26(34)38(44-48)30-17-11-19-32(42-30)40-28-15-5-9-23-36(28)50(46-40)25-51-37-24-10-6-16-29(37)41(47-51)33-20-12-18-31(43-33)39-27-14-4-8-22-35(27)49(2)45-39/h11-12,17-20H,3-10,13-16,21-25H2,1-2H3
InChIKeyVEHUNYOPFROENI-UHFFFAOYSA-N
XLogP7.03
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.89
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole (CID 10532557) is 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]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-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole is Cn1nc(-c2cccc(-c3nn(Cn4nc(-c5cccc(-c6nn(C)c7c6CCCC7)n5)c5c4CCCC5)c4c3CCCC4)n2)c2c1CCCC2.
What is the InChIKey of 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is VEHUNYOPFROENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N10/c1-48-34-21-7-3-13-26(34)38(44-48)30-17-11-19-32(42-30)40-28-15-5-9-23-36(28)50(46-40)25-51-37-24-10-6-16-29(37)41(47-51)33-20-12-18-31(43-33)39-27-14-4-8-22-35(27)49(2)45-39/h11-12,17-20H,3-10,13-16,21-25H2,1-2H3.
What are the key properties of 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 678.89 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-[1-[[3-[6-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 10532557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).