2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide

C23H22F2N4O6 — CID 175849231

IUPAC2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H]1CCOC[C@H]1Nc1ncc2oc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1
InChIInChI=1S/C23H22F2N4O6/c1-10(22(26)31)11-4-5-34-9-13(11)29-23-27-8-17-12(28-23)6-16(35-17)21(30)18-19(24)14(32-2)7-15(33-3)20(18)25/h6-8,11,13H,1,4-5,9H2,2-3H3,(H2,26,31)(H,27,28,29)/t11-,13+/m0/s1
InChIKeyBDSNOYOBKMUXCZ-WCQYABFASA-N
MW488.45 g/mol
LogP2.61
Rot. Bonds8

About 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide

2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide (PubChem CID 175849231) has the molecular formula C23H22F2N4O6 and a molecular weight of 488.45 g/mol. Its IUPAC name is 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
PubChem CID175849231
Molecular FormulaC23H22F2N4O6
Molecular Weight488.45 g/mol
Exact Mass488.15
IUPAC Name2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H]1CCOC[C@H]1Nc1ncc2oc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1
InChIInChI=1S/C23H22F2N4O6/c1-10(22(26)31)11-4-5-34-9-13(11)29-23-27-8-17-12(28-23)6-16(35-17)21(30)18-19(24)14(32-2)7-15(33-3)20(18)25/h6-8,11,13H,1,4-5,9H2,2-3H3,(H2,26,31)(H,27,28,29)/t11-,13+/m0/s1
InChIKeyBDSNOYOBKMUXCZ-WCQYABFASA-N
XLogP2.61
TPSA138.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 175692558
N-[2-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 151893556
2-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 153327688
N-[3-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[2,3-b]pyridin-6-yl]amino]oxan-4-yl]prop-2-enamide
CID 155058251
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethylpyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385432
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(oxan-4-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385503
[5-(3-amino-2-methylanilino)furo[2,3-c]pyridin-2-yl]-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
CID 175849226
N-[3-[[6-[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]furo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide
CID 157058349
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2,2,2-trifluoroethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385350
N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide
CID 158222621
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
CID 145168801
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-[(1-methylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385284

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide?
The IUPAC name of 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide (CID 175849231) is 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide.
What is the SMILES notation for 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide?
The canonical SMILES for 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide is C=C(C(N)=O)[C@@H]1CCOC[C@H]1Nc1ncc2oc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1.
What is the InChIKey of 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide?
The InChIKey is BDSNOYOBKMUXCZ-WCQYABFASA-N. The full InChI is InChI=1S/C23H22F2N4O6/c1-10(22(26)31)11-4-5-34-9-13(11)29-23-27-8-17-12(28-23)6-16(35-17)21(30)18-19(24)14(32-2)7-15(33-3)20(18)25/h6-8,11,13H,1,4-5,9H2,2-3H3,(H2,26,31)(H,27,28,29)/t11-,13+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide?
2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide has a molecular weight of 488.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide is sourced from PubChem (CID 175849231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).