1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone

C26H25FN6O2 — CID 59647732

IUPAC1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1nc(NC2CCN(C(=O)COc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C26H25FN6O2/c27-18-8-6-17(7-9-18)21-10-11-22-24(30-21)25(32-26(28)31-22)29-19-12-14-33(15-13-19)23(34)16-35-20-4-2-1-3-5-20/h1-11,19H,12-16H2,(H3,28,29,31,32)
InChIKeyIRPSCAVAJNCSMV-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.89
Rot. Bonds6

About 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone

1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 59647732) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone
PubChem CID59647732
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1nc(NC2CCN(C(=O)COc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C26H25FN6O2/c27-18-8-6-17(7-9-18)21-10-11-22-24(30-21)25(32-26(28)31-22)29-19-12-14-33(15-13-19)23(34)16-35-20-4-2-1-3-5-20/h1-11,19H,12-16H2,(H3,28,29,31,32)
InChIKeyIRPSCAVAJNCSMV-UHFFFAOYSA-N
XLogP3.89
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone 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

1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46175008
1-[(3R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 71031511
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-[4-[2-amino-6-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110194428
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-[4-[2-amino-6-[4-(aminomethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 59647869
ethyl 4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine-2-carboxylate
CID 25154323
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
4-[2-amino-4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyrido[3,2-d]pyrimidin-6-yl]benzonitrile
CID 59647883
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
(1-carbamoylcycloprop-2-en-1-yl) 4-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine-2-carboxylate
CID 91474324

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone (CID 59647732) is 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone is Nc1nc(NC2CCN(C(=O)COc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is IRPSCAVAJNCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c27-18-8-6-17(7-9-18)21-10-11-22-24(30-21)25(32-26(28)31-22)29-19-12-14-33(15-13-19)23(34)16-35-20-4-2-1-3-5-20/h1-11,19H,12-16H2,(H3,28,29,31,32).
What are the key properties of 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 472.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 59647732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).