4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine

C25H27N7O3 — CID 90417124

IUPAC4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31)
InChIKeyPLEOHSHDUMNAEC-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.03
Rot. Bonds7

About 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine

4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 90417124) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID90417124
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31)
InChIKeyPLEOHSHDUMNAEC-UHFFFAOYSA-N
XLogP4.03
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-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

Vimseltinib
CID 86267612
Ly-3200882
CID 121249291
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
Pyrazole, 16
CID 11567059
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508144
Chk1-IN-3
CID 138454800
Ly-2880070
CID 56968075
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
Pyrazolo[1,5-b]pyridazine deriv. 50
CID 6539392

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 90417124) is 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine is COc1nc(NC2CCOCC2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1.
What is the InChIKey of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is PLEOHSHDUMNAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-23(35-19-6-9-26-22(12-19)17-13-28-32(2)15-17)5-4-21(29-16)20-14-27-25(31-24(20)33-3)30-18-7-10-34-11-8-18/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,30,31).
What are the key properties of 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine?
4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 473.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 90417124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).