[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate

C27H24N6O2 — CID 90004782

IUPAC[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)NCc3ccc(C)nn3)cc3c2cnn3Cc2ccccc2)nc1
InChIInChI=1S/C27H24N6O2/c1-18-8-11-25(28-14-18)23-12-22(35-27(34)29-15-21-10-9-19(2)31-32-21)13-26-24(23)16-30-33(26)17-20-6-4-3-5-7-20/h3-14,16H,15,17H2,1-2H3,(H,29,34)
InChIKeyWDLNIJLYYACEJQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.84
Rot. Bonds6

About [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate

[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate (PubChem CID 90004782) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate
PubChem CID90004782
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)NCc3ccc(C)nn3)cc3c2cnn3Cc2ccccc2)nc1
InChIInChI=1S/C27H24N6O2/c1-18-8-11-25(28-14-18)23-12-22(35-27(34)29-15-21-10-9-19(2)31-32-21)13-26-24(23)16-30-33(26)17-20-6-4-3-5-7-20/h3-14,16H,15,17H2,1-2H3,(H,29,34)
InChIKeyWDLNIJLYYACEJQ-UHFFFAOYSA-N
XLogP4.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate?
The IUPAC name of [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate (CID 90004782) is [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate.
What is the SMILES notation for [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate?
The canonical SMILES for [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate is Cc1ccc(-c2cc(OC(=O)NCc3ccc(C)nn3)cc3c2cnn3Cc2ccccc2)nc1.
What is the InChIKey of [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate?
The InChIKey is WDLNIJLYYACEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-18-8-11-25(28-14-18)23-12-22(35-27(34)29-15-21-10-9-19(2)31-32-21)13-26-24(23)16-30-33(26)17-20-6-4-3-5-7-20/h3-14,16H,15,17H2,1-2H3,(H,29,34).
What are the key properties of [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate?
[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate has a molecular weight of 464.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate is sourced from PubChem (CID 90004782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).