3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide

C17H21N5O4 — CID 91949977

IUPAC3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)C)c2c1=O
InChIInChI=1S/C17H21N5O4/c1-10(2)22-12(5-6-19-22)20-15(23)13-11(3)26-16-14(13)17(24)21(9-18-16)7-8-25-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,23)
InChIKeyXEPPWGSYUQONTP-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.97
Rot. Bonds6

About 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide

3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949977) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949977
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)C)c2c1=O
InChIInChI=1S/C17H21N5O4/c1-10(2)22-12(5-6-19-22)20-15(23)13-11(3)26-16-14(13)17(24)21(9-18-16)7-8-25-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,23)
InChIKeyXEPPWGSYUQONTP-UHFFFAOYSA-N
XLogP1.97
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950069
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949952
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949965
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (CID 91949977) is 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is COCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)C)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XEPPWGSYUQONTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-10(2)22-12(5-6-19-22)20-15(23)13-11(3)26-16-14(13)17(24)21(9-18-16)7-8-25-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,23).
What are the key properties of 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).