6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C24H25F2N5O3 — CID 71695815

IUPAC6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2cnccn2)c2n1CCOC2)c1ccc(F)cc1F
InChIInChI=1S/C24H25F2N5O3/c1-3-19(16-5-4-15(25)10-18(16)26)30-24(33)21-11-17(22-13-34-9-8-31(21)22)23(32)29-14(2)20-12-27-6-7-28-20/h4-7,10-12,14,19H,3,8-9,13H2,1-2H3,(H,29,32)(H,30,33)/t14-,19-/m1/s1
InChIKeyATIJHRVUHRKQAO-AUUYWEPGSA-N
MW469.49 g/mol
LogP3.46
Rot. Bonds7

About 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695815) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695815
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2cnccn2)c2n1CCOC2)c1ccc(F)cc1F
InChIInChI=1S/C24H25F2N5O3/c1-3-19(16-5-4-15(25)10-18(16)26)30-24(33)21-11-17(22-13-34-9-8-31(21)22)23(32)29-14(2)20-12-27-6-7-28-20/h4-7,10-12,14,19H,3,8-9,13H2,1-2H3,(H,29,32)(H,30,33)/t14-,19-/m1/s1
InChIKeyATIJHRVUHRKQAO-AUUYWEPGSA-N
XLogP3.46
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)propyl]-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696522
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695938
6-N-[1-(4-fluorophenyl)ethyl]-8-N-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 78151709
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514549
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514439
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
6-N-[1-(5-methoxypyrazin-2-yl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514728
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
6-N-[1-(6-methoxy-2-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514686
8-N-(cyclopropylmethyl)-6-N-[1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123726085
N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide
CID 163595492

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695815) is 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2cnccn2)c2n1CCOC2)c1ccc(F)cc1F.
What is the InChIKey of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is ATIJHRVUHRKQAO-AUUYWEPGSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-3-19(16-5-4-15(25)10-18(16)26)30-24(33)21-11-17(22-13-34-9-8-31(21)22)23(32)29-14(2)20-12-27-6-7-28-20/h4-7,10-12,14,19H,3,8-9,13H2,1-2H3,(H,29,32)(H,30,33)/t14-,19-/m1/s1.
What are the key properties of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-8-N-[(1R)-1-pyrazin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).