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

C26H25FN4O4 — CID 76794630

IUPACN-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C21COCC(NC=O)=N1
InChIInChI=1S/C26H25FN4O4/c1-25(2,3)13-34-23-10-19-21(11-29-23)35-20-7-6-16(17-5-4-8-28-24(17)27)9-18(20)26(19)14-33-12-22(31-26)30-15-32/h4-11,15H,12-14H2,1-3H3,(H,30,31,32)
InChIKeyUFBMVSOOFUPRRC-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.23
Rot. Bonds4

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

N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide (PubChem CID 76794630) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide.

Molecular Properties

Compound NameN-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide
PubChem CID76794630
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C21COCC(NC=O)=N1
InChIInChI=1S/C26H25FN4O4/c1-25(2,3)13-34-23-10-19-21(11-29-23)35-20-7-6-16(17-5-4-8-28-24(17)27)9-18(20)26(19)14-33-12-22(31-26)30-15-32/h4-11,15H,12-14H2,1-3H3,(H,30,31,32)
InChIKeyUFBMVSOOFUPRRC-UHFFFAOYSA-N
XLogP4.23
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide 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 N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide?
The IUPAC name of N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide (CID 76794630) is N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide.
What is the SMILES notation for N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide?
The canonical SMILES for N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide is CC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C21COCC(NC=O)=N1.
What is the InChIKey of N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide?
The InChIKey is UFBMVSOOFUPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-25(2,3)13-34-23-10-19-21(11-29-23)35-20-7-6-16(17-5-4-8-28-24(17)27)9-18(20)26(19)14-33-12-22(31-26)30-15-32/h4-11,15H,12-14H2,1-3H3,(H,30,31,32).
What are the key properties of N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide?
N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide has a molecular weight of 476.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3'-(2,2-dimethylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-yl]formamide is sourced from PubChem (CID 76794630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).