1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine

C26H30N8O2 — CID 90417753

IUPAC1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1nc(N2CCC(N(C)C)C2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C26H30N8O2/c1-17-24(36-20-8-10-27-23(12-20)18-13-29-33(4)15-18)7-6-22(30-17)21-14-28-26(31-25(21)35-5)34-11-9-19(16-34)32(2)3/h6-8,10,12-15,19H,9,11,16H2,1-5H3
InChIKeyMUCWLVQSUFTHFK-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 90417753) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID90417753
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1nc(N2CCC(N(C)C)C2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C26H30N8O2/c1-17-24(36-20-8-10-27-23(12-20)18-13-29-33(4)15-18)7-6-22(30-17)21-14-28-26(31-25(21)35-5)34-11-9-19(16-34)32(2)3/h6-8,10,12-15,19H,9,11,16H2,1-5H3
InChIKeyMUCWLVQSUFTHFK-UHFFFAOYSA-N
XLogP3.58
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 90417753) is 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine is COc1nc(N2CCC(N(C)C)C2)ncc1-c1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1.
What is the InChIKey of 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MUCWLVQSUFTHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17-24(36-20-8-10-27-23(12-20)18-13-29-33(4)15-18)7-6-22(30-17)21-14-28-26(31-25(21)35-5)34-11-9-19(16-34)32(2)3/h6-8,10,12-15,19H,9,11,16H2,1-5H3.
What are the key properties of 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 486.58 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 90417753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).