N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide

About N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide

N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 71542524) has the molecular formula C26H17F3N6O3 and a molecular weight of 518.46 g/mol. Its IUPAC name is N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
PubChem CID	71542524
Molecular Formula	C26H17F3N6O3
Molecular Weight	518.46 g/mol
Exact Mass	518.13
IUPAC Name	N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
SMILES	NC1=N[C@@]2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c2cc(-c2ccnc(F)c2)nc1F
InChI	InChI=1S/C26H17F3N6O3/c27-14-1-3-18(32-12-14)24(36)33-15-2-4-20-16(10-15)26(6-8-37-25(30)35-26)17-11-19(34-23(29)22(17)38-20)13-5-7-31-21(28)9-13/h1-5,7,9-12H,6,8H2,(H2,30,35)(H,33,36)/t26-/m0/s1
InChIKey	KVVSLKPYJIFFGD-SANMLTNESA-N
XLogP	4.29
TPSA	124.61 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide?

The IUPAC name of N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide (CID 71542524) is N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide is NC1=N[C@@]2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c2cc(-c2ccnc(F)c2)nc1F.

What is the InChIKey of N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide?

The InChIKey is KVVSLKPYJIFFGD-SANMLTNESA-N. The full InChI is InChI=1S/C26H17F3N6O3/c27-14-1-3-18(32-12-14)24(36)33-15-2-4-20-16(10-15)26(6-8-37-25(30)35-26)17-11-19(34-23(29)22(17)38-20)13-5-7-31-21(28)9-13/h1-5,7,9-12H,6,8H2,(H2,30,35)(H,33,36)/t26-/m0/s1.

What are the key properties of N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide?

N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 518.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 71542524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).