6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine

C21H28N6O2 — CID 174316743

IUPAC6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine
SMILESCNc1nn(C2CCCCO2)cc1-c1cc(N)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C21H28N6O2/c1-23-21-16(13-26(25-21)19-6-2-4-8-28-19)14-10-17(22)15-12-24-27(18(15)11-14)20-7-3-5-9-29-20/h10-13,19-20H,2-9,22H2,1H3,(H,23,25)
InChIKeyWJAWHZDHQBIOIX-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.92
Rot. Bonds4

About 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine

6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine (PubChem CID 174316743) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine.

Molecular Properties

Compound Name6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine
PubChem CID174316743
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine
SMILESCNc1nn(C2CCCCO2)cc1-c1cc(N)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C21H28N6O2/c1-23-21-16(13-26(25-21)19-6-2-4-8-28-19)14-10-17(22)15-12-24-27(18(15)11-14)20-7-3-5-9-29-20/h10-13,19-20H,2-9,22H2,1H3,(H,23,25)
InChIKeyWJAWHZDHQBIOIX-UHFFFAOYSA-N
XLogP3.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
CID 171067405
4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
CID 166146394
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
CID 68667821
1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 59276653
1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
CID 178122652
4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine
CID 68668176
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 86722877
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine?
The IUPAC name of 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine (CID 174316743) is 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine.
What is the SMILES notation for 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine?
The canonical SMILES for 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine is CNc1nn(C2CCCCO2)cc1-c1cc(N)c2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine?
The InChIKey is WJAWHZDHQBIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-23-21-16(13-26(25-21)19-6-2-4-8-28-19)14-10-17(22)15-12-24-27(18(15)11-14)20-7-3-5-9-29-20/h10-13,19-20H,2-9,22H2,1H3,(H,23,25).
What are the key properties of 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine?
6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine has a molecular weight of 396.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine is sourced from PubChem (CID 174316743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).