N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide

C23H22N6O4 — CID 166738324

IUPACN-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2nc(-n3cc(-c4cccc(C)c4)cn3)nc(N3CCOCC3=O)c2o1
InChIInChI=1S/C23H22N6O4/c1-3-24-22(31)18-10-17-20(33-18)21(28-7-8-32-13-19(28)30)27-23(26-17)29-12-16(11-25-29)15-6-4-5-14(2)9-15/h4-6,9-12H,3,7-8,13H2,1-2H3,(H,24,31)
InChIKeyAVDXSBNOPHVXEF-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide

N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738324) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID166738324
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2nc(-n3cc(-c4cccc(C)c4)cn3)nc(N3CCOCC3=O)c2o1
InChIInChI=1S/C23H22N6O4/c1-3-24-22(31)18-10-17-20(33-18)21(28-7-8-32-13-19(28)30)27-23(26-17)29-12-16(11-25-29)15-6-4-5-14(2)9-15/h4-6,9-12H,3,7-8,13H2,1-2H3,(H,24,31)
InChIKeyAVDXSBNOPHVXEF-UHFFFAOYSA-N
XLogP2.50
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[4-(3-methylphenyl)pyrazol-1-yl]-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166164823
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
CID 168728110
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166738323
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
CID 166738358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide (CID 166738324) is N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2nc(-n3cc(-c4cccc(C)c4)cn3)nc(N3CCOCC3=O)c2o1.
What is the InChIKey of N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is AVDXSBNOPHVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-3-24-22(31)18-10-17-20(33-18)21(28-7-8-32-13-19(28)30)27-23(26-17)29-12-16(11-25-29)15-6-4-5-14(2)9-15/h4-6,9-12H,3,7-8,13H2,1-2H3,(H,24,31).
What are the key properties of N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide?
N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).