2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide

C18H20N6O4 — CID 70748451

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide
SMILESCn1nc(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C18H20N6O4/c1-23-12-3-2-4-13(24-5-7-28-8-6-24)15(12)16(22-23)20-14(25)9-11-10-19-18(27)21-17(11)26/h2-4,10H,5-9H2,1H3,(H,20,22,25)(H2,19,21,26,27)
InChIKeyOHHMTVGQIHWRIZ-UHFFFAOYSA-N
MW384.40 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide (PubChem CID 70748451) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide
PubChem CID70748451
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide
SMILESCn1nc(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C18H20N6O4/c1-23-12-3-2-4-13(24-5-7-28-8-6-24)15(12)16(22-23)20-14(25)9-11-10-19-18(27)21-17(11)26/h2-4,10H,5-9H2,1H3,(H,20,22,25)(H2,19,21,26,27)
InChIKeyOHHMTVGQIHWRIZ-UHFFFAOYSA-N
XLogP-0.03
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide (CID 70748451) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide is Cn1nc(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2c(N3CCOCC3)cccc21.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide?
The InChIKey is OHHMTVGQIHWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-23-12-3-2-4-13(24-5-7-28-8-6-24)15(12)16(22-23)20-14(25)9-11-10-19-18(27)21-17(11)26/h2-4,10H,5-9H2,1H3,(H,20,22,25)(H2,19,21,26,27).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide has a molecular weight of 384.40 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)acetamide is sourced from PubChem (CID 70748451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).