1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C19H23N5O2 — CID 178017652

About 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 178017652) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 178017652
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
• SMILES: Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3=CCNCC3(C)C)cc21
• InChI: InChI=1S/C19H23N5O2/c1-19(2)11-20-8-6-14(19)12-4-5-13-15(10-12)23(3)22-17(13)24-9-7-16(25)21-18(24)26/h4-6,10,20H,7-9,11H2,1-3H3,(H,21,25,26)
• InChIKey: MSYIKOOPVLMHCC-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 178017652) is 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3=CCNCC3(C)C)cc21.

What is the InChIKey of 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is MSYIKOOPVLMHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2)11-20-8-6-14(19)12-4-5-13-15(10-12)23(3)22-17(13)24-9-7-16(25)21-18(24)26/h4-6,10,20H,7-9,11H2,1-3H3,(H,21,25,26).

What are the key properties of 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?

1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 353.43 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178017652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).