cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate

C24H27FN6O3 — CID 25121072

IUPACcyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
SMILESN#Cc1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C24H27FN6O3/c25-19-13-16(14-26)5-6-20(19)29-22-21-23(28-15-27-22)31(11-12-33-21)17-7-9-30(10-8-17)24(32)34-18-3-1-2-4-18/h5-6,13,15,17-18H,1-4,7-12H2,(H,27,28,29)
InChIKeyPQSCCWUDXSEMPJ-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.97
Rot. Bonds4

About cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate

cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate (PubChem CID 25121072) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
PubChem CID25121072
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Namecyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
SMILESN#Cc1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C24H27FN6O3/c25-19-13-16(14-26)5-6-20(19)29-22-21-23(28-15-27-22)31(11-12-33-21)17-7-9-30(10-8-17)24(32)34-18-3-1-2-4-18/h5-6,13,15,17-18H,1-4,7-12H2,(H,27,28,29)
InChIKeyPQSCCWUDXSEMPJ-UHFFFAOYSA-N
XLogP3.97
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate 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

propan-2-yl 4-[4-(4-cyanoanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
CID 25121778
propan-2-yl 4-[4-[(3-fluoro-4-pyridinyl)amino]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl]piperidine-1-carboxylate
CID 58293573
4-[[8-(4-cyano-2-fluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]piperidine-1-carboxylic acid
CID 175007348
4-[4-[(6-cyano-2-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl]piperidine-1-carboxylic acid
CID 67038702
4-[4-[(2,6-dichloro-3-pyridinyl)amino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylic acid
CID 87244928
tert-butyl 4-[4-[(3,5-difluoro-4-pyridinyl)amino]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl]piperidine-1-carboxylate
CID 58293635
N-(2-fluoro-4-isocyanophenyl)-8-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
CID 58293594
propan-2-yl 4-[4-[(3,5-dichloro-4-pyridinyl)amino]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazepin-9-yl]piperidine-1-carboxylate
CID 25119316
tert-butyl 4-[[[6-(4-cyano-2-fluoroanilino)pyrimidin-4-yl]methylamino]methyl]piperidine-1-carboxylate
CID 142780571
tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate
CID 58293623
N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
CID 25118600
propan-2-yl 4-[5-cyano-6-[2-fluoro-4-(propan-2-ylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856881

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate (CID 25121072) is cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate is N#Cc1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC3CCCC3)CC2)c(F)c1.
What is the InChIKey of cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?
The InChIKey is PQSCCWUDXSEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c25-19-13-16(14-26)5-6-20(19)29-22-21-23(28-15-27-22)31(11-12-33-21)17-7-9-30(10-8-17)24(32)34-18-3-1-2-4-18/h5-6,13,15,17-18H,1-4,7-12H2,(H,27,28,29).
What are the key properties of cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?
cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate has a molecular weight of 466.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[4-(4-cyano-2-fluoroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate is sourced from PubChem (CID 25121072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).