4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide

C22H17F2N7O3 — CID 122520966

IUPAC4-[(4,7-difluoro-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)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C22H17F2N7O3/c1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14/h3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31)
InChIKeyBEQHQDNCKAUCSJ-UHFFFAOYSA-N
MW465.42 g/mol
LogP4.42
Rot. Bonds6

About 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (PubChem CID 122520966) has the molecular formula C22H17F2N7O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
PubChem CID122520966
Molecular FormulaC22H17F2N7O3
Molecular Weight465.42 g/mol
Exact Mass465.14
IUPAC Name4-[(4,7-difluoro-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)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C22H17F2N7O3/c1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14/h3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31)
InChIKeyBEQHQDNCKAUCSJ-UHFFFAOYSA-N
XLogP4.42
TPSA133.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(4,7-difluoro-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 4-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (CID 122520966) is 4-[(4,7-difluoro-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-[(4,7-difluoro-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-[(4,7-difluoro-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)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is BEQHQDNCKAUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O3/c1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14/h3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31).
What are the key properties of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
4-[(4,7-difluoro-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 465.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-difluoro-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 122520966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).