4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

C25H26N6O4 — CID 166738354

IUPAC4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CCOCC1)c1cc2nc(-n3cc(-c4ccccc4)cn3)nc(N3CCOCC3)c2o1
InChIInChI=1S/C25H26N6O4/c32-24(27-19-6-10-33-11-7-19)21-14-20-22(35-21)23(30-8-12-34-13-9-30)29-25(28-20)31-16-18(15-26-31)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,27,32)
InChIKeyQHTCOTWGLAEBHA-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.82
Rot. Bonds5

About 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738354) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID166738354
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CCOCC1)c1cc2nc(-n3cc(-c4ccccc4)cn3)nc(N3CCOCC3)c2o1
InChIInChI=1S/C25H26N6O4/c32-24(27-19-6-10-33-11-7-19)21-14-20-22(35-21)23(30-8-12-34-13-9-30)29-25(28-20)31-16-18(15-26-31)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,27,32)
InChIKeyQHTCOTWGLAEBHA-UHFFFAOYSA-N
XLogP2.82
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
CID 168728110
N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738321
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747350
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (CID 166738354) is 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is O=C(NC1CCOCC1)c1cc2nc(-n3cc(-c4ccccc4)cn3)nc(N3CCOCC3)c2o1.
What is the InChIKey of 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QHTCOTWGLAEBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c32-24(27-19-6-10-33-11-7-19)21-14-20-22(35-21)23(30-8-12-34-13-9-30)29-25(28-20)31-16-18(15-26-31)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,27,32).
What are the key properties of 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).