3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine

C21H20N6O — CID 59255251

IUPAC3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)c(N)n1
InChIInChI=1S/C21H20N6O/c22-19-8-7-18(21(23)26-19)17-11-25-27(13-17)12-16-6-9-20(24-10-16)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H4,22,23,26)
InChIKeyGOXLLMHVKYTDKP-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.13
Rot. Bonds6

About 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine

3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine (PubChem CID 59255251) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine
PubChem CID59255251
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)c(N)n1
InChIInChI=1S/C21H20N6O/c22-19-8-7-18(21(23)26-19)17-11-25-27(13-17)12-16-6-9-20(24-10-16)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H4,22,23,26)
InChIKeyGOXLLMHVKYTDKP-UHFFFAOYSA-N
XLogP3.13
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine 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 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine?
The IUPAC name of 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine (CID 59255251) is 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine is Nc1ccc(-c2cnn(Cc3ccc(OCc4ccccc4)nc3)c2)c(N)n1.
What is the InChIKey of 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine?
The InChIKey is GOXLLMHVKYTDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-19-8-7-18(21(23)26-19)17-11-25-27(13-17)12-16-6-9-20(24-10-16)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H4,22,23,26).
What are the key properties of 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine?
3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine has a molecular weight of 372.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-phenylmethoxy-3-pyridinyl)methyl]pyrazol-4-yl]pyridine-2,6-diamine is sourced from PubChem (CID 59255251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).