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

C22H18FN7O3 — CID 122520526

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C22H18FN7O3/c1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15/h3-10,27H,1-2H3,(H,24,31)(H2,25,26,28,29,30)
InChIKeyGXFKCIXWCBFYQV-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.28
Rot. Bonds6

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

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 122520526) has the molecular formula C22H18FN7O3 and a molecular weight of 447.43 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-methylpyrimidine-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-methylpyrimidine-5-carboxamide
PubChem CID122520526
Molecular FormulaC22H18FN7O3
Molecular Weight447.43 g/mol
Exact Mass447.15
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C22H18FN7O3/c1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15/h3-10,27H,1-2H3,(H,24,31)(H2,25,26,28,29,30)
InChIKeyGXFKCIXWCBFYQV-UHFFFAOYSA-N
XLogP4.28
TPSA133.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.28
H-Bond Donors ≤ 54
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-methylpyrimidine-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-methylpyrimidine-5-carboxamide (CID 122520526) is 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 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 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 CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
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-methylpyrimidine-5-carboxamide?
The InChIKey is GXFKCIXWCBFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O3/c1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15/h3-10,27H,1-2H3,(H,24,31)(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-methylpyrimidine-5-carboxamide?
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 447.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 4 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-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 122520526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).