N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide

C24H22FN7O3 — CID 122520710

IUPACN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C24H22FN7O3/c1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15/h5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31)
InChIKeyAAUMMQMSOIRUNK-UHFFFAOYSA-N
MW475.48 g/mol
LogP5.02
Rot. Bonds7

About N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide

N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (PubChem CID 122520710) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
PubChem CID122520710
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC NameN-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C24H22FN7O3/c1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15/h5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31)
InChIKeyAAUMMQMSOIRUNK-UHFFFAOYSA-N
XLogP5.02
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (CID 122520710) is N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is AAUMMQMSOIRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-4-32(3)24(33)20-22(29-19-11-16(30-31-19)17-6-5-9-34-17)26-12-27-23(20)35-18-8-7-15-14(21(18)25)10-13(2)28-15/h5-12,28H,4H2,1-3H3,(H2,26,27,29,30,31).
What are the key properties of N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 122520710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).