4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H21N5O4 — CID 11384244

About 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11384244) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 11384244
• Molecular Formula: C21H21N5O4
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.16
• IUPAC Name: 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2cccc(OCCO)c2)NC(=O)N1
• InChI: InChI=1S/C21H21N5O4/c1-12-18(20(28)24-15-5-6-17-14(9-15)11-22-26-17)19(25-21(29)23-12)13-3-2-4-16(10-13)30-8-7-27/h2-6,9-11,19,27H,7-8H2,1H3,(H,22,26)(H,24,28)(H2,23,25,29)
• InChIKey: BRQVXDKCTBIGLV-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 128.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11384244) is 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2cccc(OCCO)c2)NC(=O)N1.

What is the InChIKey of 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is BRQVXDKCTBIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-12-18(20(28)24-15-5-6-17-14(9-15)11-22-26-17)19(25-21(29)23-12)13-3-2-4-16(10-13)30-8-7-27/h2-6,9-11,19,27H,7-8H2,1H3,(H,22,26)(H,24,28)(H2,23,25,29).

What are the key properties of 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).