6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C25H28FN5O3 — CID 146761009

IUPAC6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC(C)C(NC(=O)c1cc(C(=O)N[C@H](C)c2ncccn2)c2n1CCOC2)c1ccc(F)cc1
InChIInChI=1S/C25H28FN5O3/c1-15(2)22(17-5-7-18(26)8-6-17)30-25(33)20-13-19(21-14-34-12-11-31(20)21)24(32)29-16(3)23-27-9-4-10-28-23/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t16-,22?/m1/s1
InChIKeyRPKSJSNOLFUXNT-XESZBRCGSA-N
MW465.53 g/mol
LogP3.57
Rot. Bonds7

About 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 146761009) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID146761009
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC(C)C(NC(=O)c1cc(C(=O)N[C@H](C)c2ncccn2)c2n1CCOC2)c1ccc(F)cc1
InChIInChI=1S/C25H28FN5O3/c1-15(2)22(17-5-7-18(26)8-6-17)30-25(33)20-13-19(21-14-34-12-11-31(20)21)24(32)29-16(3)23-27-9-4-10-28-23/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t16-,22?/m1/s1
InChIKeyRPKSJSNOLFUXNT-XESZBRCGSA-N
XLogP3.57
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 146761009) is 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC(C)C(NC(=O)c1cc(C(=O)N[C@H](C)c2ncccn2)c2n1CCOC2)c1ccc(F)cc1.
What is the InChIKey of 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is RPKSJSNOLFUXNT-XESZBRCGSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-15(2)22(17-5-7-18(26)8-6-17)30-25(33)20-13-19(21-14-34-12-11-31(20)21)24(32)29-16(3)23-27-9-4-10-28-23/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t16-,22?/m1/s1.
What are the key properties of 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 146761009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).