5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

C25H30N8O2 — CID 177195458

IUPAC5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(N3CCC(Nc4cnn(C)c4)CC3)cc3ncnc(N)c23)c1C
InChIInChI=1S/C25H30N8O2/c1-15-5-6-20(34-4)16(2)23(15)35-25-22-19(27-14-28-24(22)26)11-21(31-25)33-9-7-17(8-10-33)30-18-12-29-32(3)13-18/h5-6,11-14,17,30H,7-10H2,1-4H3,(H2,26,27,28)
InChIKeyXCWRCMOMHOSFSA-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.84
Rot. Bonds6

About 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 177195458) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID177195458
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(N3CCC(Nc4cnn(C)c4)CC3)cc3ncnc(N)c23)c1C
InChIInChI=1S/C25H30N8O2/c1-15-5-6-20(34-4)16(2)23(15)35-25-22-19(27-14-28-24(22)26)11-21(31-25)33-9-7-17(8-10-33)30-18-12-29-32(3)13-18/h5-6,11-14,17,30H,7-10H2,1-4H3,(H2,26,27,28)
InChIKeyXCWRCMOMHOSFSA-UHFFFAOYSA-N
XLogP3.84
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241657
N-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 119025603
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 71558885
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
CID 3232747
N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3235011
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-7-(2,4,6-trimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 118732244
4-[(2,4-Dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
CID 155556168
3-(2,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662582
6-[1-(3,5-Dimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
CID 163214068

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (CID 177195458) is 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(C)c(Oc2nc(N3CCC(Nc4cnn(C)c4)CC3)cc3ncnc(N)c23)c1C.
What is the InChIKey of 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is XCWRCMOMHOSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-15-5-6-20(34-4)16(2)23(15)35-25-22-19(27-14-28-24(22)26)11-21(31-25)33-9-7-17(8-10-33)30-18-12-29-32(3)13-18/h5-6,11-14,17,30H,7-10H2,1-4H3,(H2,26,27,28).
What are the key properties of 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 474.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177195458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).