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

C23H19FN8O2 — CID 122520508

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C23H19FN8O2/c1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32)
InChIKeyDQYDKCGXCHAOIC-UHFFFAOYSA-N
MW458.46 g/mol
LogP4.09
Rot. Bonds6

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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 122520508) has the molecular formula C23H19FN8O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID122520508
Molecular FormulaC23H19FN8O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C23H19FN8O2/c1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32)
InChIKeyDQYDKCGXCHAOIC-UHFFFAOYSA-N
XLogP4.09
TPSA133.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 54.09
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]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (CID 122520508) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is CNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is DQYDKCGXCHAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O2/c1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 4.09, 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]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 122520508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).