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

C24H21FN8O2 — CID 122521006

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C24H21FN8O2/c1-13-10-14-15(29-13)7-8-18(21(14)25)35-23-20(24(34)33(2)3)22(27-12-28-23)30-19-11-17(31-32-19)16-6-4-5-9-26-16/h4-12,29H,1-3H3,(H2,27,28,30,31,32)
InChIKeyKNRVMWHZILHOJW-UHFFFAOYSA-N
MW472.48 g/mol
LogP4.43
Rot. Bonds6

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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 122521006) has the molecular formula C24H21FN8O2 and a molecular weight of 472.48 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID122521006
Molecular FormulaC24H21FN8O2
Molecular Weight472.48 g/mol
Exact Mass472.18
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C24H21FN8O2/c1-13-10-14-15(29-13)7-8-18(21(14)25)35-23-20(24(34)33(2)3)22(27-12-28-23)30-19-11-17(31-32-19)16-6-4-5-9-26-16/h4-12,29H,1-3H3,(H2,27,28,30,31,32)
InChIKeyKNRVMWHZILHOJW-UHFFFAOYSA-N
XLogP4.43
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (CID 122521006) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[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]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KNRVMWHZILHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O2/c1-13-10-14-15(29-13)7-8-18(21(14)25)35-23-20(24(34)33(2)3)22(27-12-28-23)30-19-11-17(31-32-19)16-6-4-5-9-26-16/h4-12,29H,1-3H3,(H2,27,28,30,31,32).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 4.43, 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]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 122521006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).