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

C24H21F2N7O3 — CID 122521145

IUPAC4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C24H21F2N7O3/c1-4-33(3)24(34)19-22(30-18-10-15(31-32-18)16-6-5-7-35-16)27-11-28-23(19)36-17-9-14(25)21-13(20(17)26)8-12(2)29-21/h5-11,29H,4H2,1-3H3,(H2,27,28,30,31,32)
InChIKeyXSSNGETZPBFECZ-UHFFFAOYSA-N
MW493.47 g/mol
LogP5.16
Rot. Bonds7

About 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (PubChem CID 122521145) has the molecular formula C24H21F2N7O3 and a molecular weight of 493.47 g/mol. Its IUPAC name is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
PubChem CID122521145
Molecular FormulaC24H21F2N7O3
Molecular Weight493.47 g/mol
Exact Mass493.17
IUPAC Name4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C24H21F2N7O3/c1-4-33(3)24(34)19-22(30-18-10-15(31-32-18)16-6-5-7-35-16)27-11-28-23(19)36-17-9-14(25)21-13(20(17)26)8-12(2)29-21/h5-11,29H,4H2,1-3H3,(H2,27,28,30,31,32)
InChIKeyXSSNGETZPBFECZ-UHFFFAOYSA-N
XLogP5.16
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.47
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-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]-N-ethyl-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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide (CID 122521145) is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-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]-N-ethyl-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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide is CCN(C)C(=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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is XSSNGETZPBFECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O3/c1-4-33(3)24(34)19-22(30-18-10-15(31-32-18)16-6-5-7-35-16)27-11-28-23(19)36-17-9-14(25)21-13(20(17)26)8-12(2)29-21/h5-11,29H,4H2,1-3H3,(H2,27,28,30,31,32).
What are the key properties of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 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]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 122521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).