N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine

C23H25FN8O — CID 78427556

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNCC4)n3)ccc2[nH]1
InChIInChI=1S/C23H25FN8O/c1-13-10-15-16(26-13)4-5-18(22(15)24)33-23-28-19(12-21(29-23)32-8-6-25-7-9-32)27-20-11-17(30-31-20)14-2-3-14/h4-5,10-12,14,25-26H,2-3,6-9H2,1H3,(H2,27,28,29,30,31)
InChIKeyILCCMAXEKSNJJT-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.95
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 78427556) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID78427556
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNCC4)n3)ccc2[nH]1
InChIInChI=1S/C23H25FN8O/c1-13-10-15-16(26-13)4-5-18(22(15)24)33-23-28-19(12-21(29-23)32-8-6-25-7-9-32)27-20-11-17(30-31-20)14-2-3-14/h4-5,10-12,14,25-26H,2-3,6-9H2,1H3,(H2,27,28,29,30,31)
InChIKeyILCCMAXEKSNJJT-UHFFFAOYSA-N
XLogP3.95
TPSA106.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine (CID 78427556) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNCC4)n3)ccc2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is ILCCMAXEKSNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-13-10-15-16(26-13)4-5-18(22(15)24)33-23-28-19(12-21(29-23)32-8-6-25-7-9-32)27-20-11-17(30-31-20)14-2-3-14/h4-5,10-12,14,25-26H,2-3,6-9H2,1H3,(H2,27,28,29,30,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 448.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 78427556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).