3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide

C23H25N5O4 — CID 91950234

IUPAC3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)c3ccccc3)c2c1=O
InChIInChI=1S/C23H25N5O4/c1-15(17-8-5-4-6-9-17)28-18(10-11-25-28)26-21(29)19-16(2)32-22-20(19)23(30)27(14-24-22)12-7-13-31-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,29)
InChIKeyLDZOZXRJKMEWLD-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.39
Rot. Bonds8

About 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide

3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950234) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID91950234
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)c3ccccc3)c2c1=O
InChIInChI=1S/C23H25N5O4/c1-15(17-8-5-4-6-9-17)28-18(10-11-25-28)26-21(29)19-16(2)32-22-20(19)23(30)27(14-24-22)12-7-13-31-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,29)
InChIKeyLDZOZXRJKMEWLD-UHFFFAOYSA-N
XLogP3.39
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide (CID 91950234) is 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide is COCCCn1cnc2oc(C)c(C(=O)Nc3ccnn3C(C)c3ccccc3)c2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LDZOZXRJKMEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15(17-8-5-4-6-9-17)28-18(10-11-25-28)26-21(29)19-16(2)32-22-20(19)23(30)27(14-24-22)12-7-13-31-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,29).
What are the key properties of 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide?
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).