5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine

C29H30F2N8O3 — CID 166739659

IUPAC5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3cnc(OC(C)C)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C29H30F2N8O3/c1-17(2)40-28-26(42-23-8-9-38(4)14-29(23,30)31)25-21(13-32-28)33-15-35-27(25)37-19-5-6-22(18(3)11-19)41-20-7-10-39-24(12-20)34-16-36-39/h5-7,10-13,15-17,23H,8-9,14H2,1-4H3,(H,33,35,37)/t23-/m1/s1
InChIKeyFXIVGDIWLBTJDH-HSZRJFAPSA-N
MW576.61 g/mol
LogP5.42
Rot. Bonds8

About 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine

5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166739659) has the molecular formula C29H30F2N8O3 and a molecular weight of 576.61 g/mol. Its IUPAC name is 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine
PubChem CID166739659
Molecular FormulaC29H30F2N8O3
Molecular Weight576.61 g/mol
Exact Mass576.24
IUPAC Name5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3cnc(OC(C)C)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C29H30F2N8O3/c1-17(2)40-28-26(42-23-8-9-38(4)14-29(23,30)31)25-21(13-32-28)33-15-35-27(25)37-19-5-6-22(18(3)11-19)41-20-7-10-39-24(12-20)34-16-36-39/h5-7,10-13,15-17,23H,8-9,14H2,1-4H3,(H,33,35,37)/t23-/m1/s1
InChIKeyFXIVGDIWLBTJDH-HSZRJFAPSA-N
XLogP5.42
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine 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

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-N-[3-methyl-4-(tetrazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 166739575
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]-5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 166739542
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine
CID 159238838
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
CID 155482989
5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-ylmethyl)phenyl]quinazolin-4-amine
CID 166890606
6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
6-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
CID 167318589
5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-4-(3-methyl-4-pyrazolo[1,5-a]pyrimidin-6-yloxyanilino)-1,7-naphthyridine-3-carbonitrile
CID 166739626
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 166927873
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
N'-[6-[4-[[5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]amino]-2-methylphenoxy]pyrimidin-4-yl]methanimidamide
CID 174099456

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine (CID 166739659) is 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3cnc(OC(C)C)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FXIVGDIWLBTJDH-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H30F2N8O3/c1-17(2)40-28-26(42-23-8-9-38(4)14-29(23,30)31)25-21(13-32-28)33-15-35-27(25)37-19-5-6-22(18(3)11-19)41-20-7-10-39-24(12-20)34-16-36-39/h5-7,10-13,15-17,23H,8-9,14H2,1-4H3,(H,33,35,37)/t23-/m1/s1.
What are the key properties of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine?
5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 576.61 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-propan-2-yloxypyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166739659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).