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

C26H24N6O5 — CID 71542873

IUPACN-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)[C@@]2(CCOC(N)=N2)c2cc(C4=CCCOC4)ncc2O3)cn1
InChIInChI=1S/C26H24N6O5/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-36-25(27)32-26)18-10-19(28-12-22(18)37-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33)/t26-/m0/s1
InChIKeyNCRPESNIOMHVLM-SANMLTNESA-N
MW500.52 g/mol
LogP3.02
Rot. Bonds4

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

N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide (PubChem CID 71542873) has the molecular formula C26H24N6O5 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
PubChem CID71542873
Molecular FormulaC26H24N6O5
Molecular Weight500.52 g/mol
Exact Mass500.18
IUPAC NameN-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)[C@@]2(CCOC(N)=N2)c2cc(C4=CCCOC4)ncc2O3)cn1
InChIInChI=1S/C26H24N6O5/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-36-25(27)32-26)18-10-19(28-12-22(18)37-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33)/t26-/m0/s1
InChIKeyNCRPESNIOMHVLM-SANMLTNESA-N
XLogP3.02
TPSA143.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 137348437
N-[(4S)-2-amino-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145991785
N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyridine-2-carboxamide
CID 78104669
N-[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-chloropyridine-2-carboxamide
CID 78104711
N-[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-cyanopyridine-2-carboxamide
CID 78104936
N-(2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-but-2-ynoxypyrazine-2-carboxamide
CID 78105160
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-cyanopyridine-2-carboxamide
CID 78105200
N-[2-amino-1'-fluoro-3'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 78105229
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
N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 86724318
N-[2-amino-1'-fluoro-3'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyrazine-2-carboxamide
CID 124222791
N-[(4S)-2-amino-3'-methylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145986616

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide (CID 71542873) is N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[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-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[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)[C@@]2(CCOC(N)=N2)c2cc(C4=CCCOC4)ncc2O3)cn1.
What is the InChIKey of N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is NCRPESNIOMHVLM-SANMLTNESA-N. The full InChI is InChI=1S/C26H24N6O5/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-36-25(27)32-26)18-10-19(28-12-22(18)37-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33)/t26-/m0/s1.
What are the key properties of N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide?
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 71542873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).