N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide

C18H20N6O3 — CID 70709643

IUPACN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCn1nc(NC(=O)Cn2cccnc2=O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C18H20N6O3/c1-22-13-4-2-5-14(23-8-10-27-11-9-23)16(13)17(21-22)20-15(25)12-24-7-3-6-19-18(24)26/h2-7H,8-12H2,1H3,(H,20,21,25)
InChIKeyDKZREMVWDQVPMV-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.61
Rot. Bonds4

About N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 70709643) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID70709643
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCn1nc(NC(=O)Cn2cccnc2=O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C18H20N6O3/c1-22-13-4-2-5-14(23-8-10-27-11-9-23)16(13)17(21-22)20-15(25)12-24-7-3-6-19-18(24)26/h2-7H,8-12H2,1H3,(H,20,21,25)
InChIKeyDKZREMVWDQVPMV-UHFFFAOYSA-N
XLogP0.61
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 70709643) is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide is Cn1nc(NC(=O)Cn2cccnc2=O)c2c(N3CCOCC3)cccc21.
What is the InChIKey of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is DKZREMVWDQVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-13-4-2-5-14(23-8-10-27-11-9-23)16(13)17(21-22)20-15(25)12-24-7-3-6-19-18(24)26/h2-7H,8-12H2,1H3,(H,20,21,25).
What are the key properties of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 70709643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).