N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide

C22H30N4O2 — CID 24817020

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)CCN2CCCCO2)c1C
InChIInChI=1S/C22H30N4O2/c1-16-7-5-9-20(17(16)2)26-21-10-6-8-19(18(21)15-23-26)24-22(27)11-13-25-12-3-4-14-28-25/h5,7,9,15,19H,3-4,6,8,10-14H2,1-2H3,(H,24,27)
InChIKeyCSCARUAVYJYBQZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide (PubChem CID 24817020) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide
PubChem CID24817020
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)CCN2CCCCO2)c1C
InChIInChI=1S/C22H30N4O2/c1-16-7-5-9-20(17(16)2)26-21-10-6-8-19(18(21)15-23-26)24-22(27)11-13-25-12-3-4-14-28-25/h5,7,9,15,19H,3-4,6,8,10-14H2,1-2H3,(H,24,27)
InChIKeyCSCARUAVYJYBQZ-UHFFFAOYSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide (CID 24817020) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide is Cc1cccc(-n2ncc3c2CCCC3NC(=O)CCN2CCCCO2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide?
The InChIKey is CSCARUAVYJYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-7-5-9-20(17(16)2)26-21-10-6-8-19(18(21)15-23-26)24-22(27)11-13-25-12-3-4-14-28-25/h5,7,9,15,19H,3-4,6,8,10-14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 24817020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).