4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

C26H23N7O3 — CID 175902795

IUPAC4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCn1cc(-c2ccc(C3OCCn4c3c(C(N)=O)c(=O)n4-c3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C26H23N7O3/c1-31-13-18(19-23(27)29-14-30-25(19)31)15-7-9-16(10-8-15)22-21-20(24(28)34)26(35)33(32(21)11-12-36-22)17-5-3-2-4-6-17/h2-10,13-14,22H,11-12H2,1H3,(H2,28,34)(H2,27,29,30)
InChIKeyROJNXSPNHHRQMC-UHFFFAOYSA-N
MW481.52 g/mol
LogP2.39
Rot. Bonds4

About 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 175902795) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID175902795
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCn1cc(-c2ccc(C3OCCn4c3c(C(N)=O)c(=O)n4-c3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C26H23N7O3/c1-31-13-18(19-23(27)29-14-30-25(19)31)15-7-9-16(10-8-15)22-21-20(24(28)34)26(35)33(32(21)11-12-36-22)17-5-3-2-4-6-17/h2-10,13-14,22H,11-12H2,1H3,(H2,28,34)(H2,27,29,30)
InChIKeyROJNXSPNHHRQMC-UHFFFAOYSA-N
XLogP2.39
TPSA135.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide with MolForge

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Related Compounds

4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175902657
4-[4-[4-amino-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 162356310
4-[4-[7-(1-acetylazetidin-3-yl)-4-aminopyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175183995
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 155108791
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 118069693
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 162356362
[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 155108832
N-[4-[4-amino-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 162356332
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-2,5-dioxo-1-phenylspiro[6,8-dihydroquinoline-7,1'-cyclobutane]-3-carboxamide
CID 122512848
N-[4-[4-amino-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 162356300
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-1-(2,2-dimethylpropyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 122513328
5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135198115

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 175902795) is 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is Cn1cc(-c2ccc(C3OCCn4c3c(C(N)=O)c(=O)n4-c3ccccc3)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is ROJNXSPNHHRQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-31-13-18(19-23(27)29-14-30-25(19)31)15-7-9-16(10-8-15)22-21-20(24(28)34)26(35)33(32(21)11-12-36-22)17-5-3-2-4-6-17/h2-10,13-14,22H,11-12H2,1H3,(H2,28,34)(H2,27,29,30).
What are the key properties of 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 175902795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).