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

C23H20FN7O3 — CID 122520928

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C23H20FN7O3/c1-12-9-13-14(27-12)6-7-17(20(13)24)34-22-19(23(32)31(2)3)21(25-11-26-22)28-18-10-15(29-30-18)16-5-4-8-33-16/h4-11,27H,1-3H3,(H2,25,26,28,29,30)
InChIKeyBGRQJHFIBHZFPJ-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.63
Rot. Bonds6

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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide (PubChem CID 122520928) has the molecular formula C23H20FN7O3 and a molecular weight of 461.46 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
PubChem CID122520928
Molecular FormulaC23H20FN7O3
Molecular Weight461.46 g/mol
Exact Mass461.16
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C23H20FN7O3/c1-12-9-13-14(27-12)6-7-17(20(13)24)34-22-19(23(32)31(2)3)21(25-11-26-22)28-18-10-15(29-30-18)16-5-4-8-33-16/h4-11,27H,1-3H3,(H2,25,26,28,29,30)
InChIKeyBGRQJHFIBHZFPJ-UHFFFAOYSA-N
XLogP4.63
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide (CID 122520928) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide?
The InChIKey is BGRQJHFIBHZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O3/c1-12-9-13-14(27-12)6-7-17(20(13)24)34-22-19(23(32)31(2)3)21(25-11-26-22)28-18-10-15(29-30-18)16-5-4-8-33-16/h4-11,27H,1-3H3,(H2,25,26,28,29,30).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide has a molecular weight of 461.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 122520928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).