2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C24H25F2N7O2 — CID 144622182

IUPAC2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCOCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)NC4)n2)n[nH]1
InChIInChI=1S/C24H25F2N7O2/c1-3-4-15-10-21(32-31-15)28-20-12-22(33-5-7-34-8-6-33)30-24(29-20)35-19-11-18(25)17-13-27-14(2)9-16(17)23(19)26/h3-4,9-12,27H,5-8,13H2,1-2H3,(H2,28,29,30,31,32)/b4-3+
InChIKeyFCPZIYVZODJJJM-ONEGZZNKSA-N
MW481.51 g/mol
LogP4.35
Rot. Bonds6

About 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 144622182) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID144622182
Molecular FormulaC24H25F2N7O2
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCOCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)NC4)n2)n[nH]1
InChIInChI=1S/C24H25F2N7O2/c1-3-4-15-10-21(32-31-15)28-20-12-22(33-5-7-34-8-6-33)30-24(29-20)35-19-11-18(25)17-13-27-14(2)9-16(17)23(19)26/h3-4,9-12,27H,5-8,13H2,1-2H3,(H2,28,29,30,31,32)/b4-3+
InChIKeyFCPZIYVZODJJJM-ONEGZZNKSA-N
XLogP4.35
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 144622182) is 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(N3CCOCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)NC4)n2)n[nH]1.
What is the InChIKey of 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is FCPZIYVZODJJJM-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-3-4-15-10-21(32-31-15)28-20-12-22(33-5-7-34-8-6-33)30-24(29-20)35-19-11-18(25)17-13-27-14(2)9-16(17)23(19)26/h3-4,9-12,27H,5-8,13H2,1-2H3,(H2,28,29,30,31,32)/b4-3+.
What are the key properties of 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 481.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 144622182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).