N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide

C26H23FN6O5 — CID 78105231

IUPACN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)C2(CCOC(N)=N2)c2cc(C4=CCOCC4)nc(F)c2O3)cn1
InChIInChI=1S/C26H23FN6O5/c1-35-21-13-29-19(12-30-21)24(34)31-15-2-3-20-16(10-15)26(6-9-37-25(28)33-26)17-11-18(14-4-7-36-8-5-14)32-23(27)22(17)38-20/h2-4,10-13H,5-9H2,1H3,(H2,28,33)(H,31,34)
InChIKeyZDWAJHAIIUUSPM-UHFFFAOYSA-N
MW518.51 g/mol
LogP3.16
Rot. Bonds4

About N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide

N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide (PubChem CID 78105231) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
PubChem CID78105231
Molecular FormulaC26H23FN6O5
Molecular Weight518.51 g/mol
Exact Mass518.17
IUPAC NameN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)C2(CCOC(N)=N2)c2cc(C4=CCOCC4)nc(F)c2O3)cn1
InChIInChI=1S/C26H23FN6O5/c1-35-21-13-29-19(12-30-21)24(34)31-15-2-3-20-16(10-15)26(6-9-37-25(28)33-26)17-11-18(14-4-7-36-8-5-14)32-23(27)22(17)38-20/h2-4,10-13H,5-9H2,1H3,(H2,28,33)(H,31,34)
InChIKeyZDWAJHAIIUUSPM-UHFFFAOYSA-N
XLogP3.16
TPSA143.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide (CID 78105231) is N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2ccc3c(c2)C2(CCOC(N)=N2)c2cc(C4=CCOCC4)nc(F)c2O3)cn1.
What is the InChIKey of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is ZDWAJHAIIUUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5/c1-35-21-13-29-19(12-30-21)24(34)31-15-2-3-20-16(10-15)26(6-9-37-25(28)33-26)17-11-18(14-4-7-36-8-5-14)32-23(27)22(17)38-20/h2-4,10-13H,5-9H2,1H3,(H2,28,33)(H,31,34).
What are the key properties of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 518.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 78105231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).