N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine

C23H24F2N8O — CID 78427558

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNCC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C23H24F2N8O/c1-12-8-14-21(25)17(9-15(24)22(14)27-12)34-23-29-18(11-20(30-23)33-6-4-26-5-7-33)28-19-10-16(31-32-19)13-2-3-13/h8-11,13,26-27H,2-7H2,1H3,(H2,28,29,30,31,32)
InChIKeyUAKMKAKGWZWCSS-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.09
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 78427558) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID78427558
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNCC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C23H24F2N8O/c1-12-8-14-21(25)17(9-15(24)22(14)27-12)34-23-29-18(11-20(30-23)33-6-4-26-5-7-33)28-19-10-16(31-32-19)13-2-3-13/h8-11,13,26-27H,2-7H2,1H3,(H2,28,29,30,31,32)
InChIKeyUAKMKAKGWZWCSS-UHFFFAOYSA-N
XLogP4.09
TPSA106.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.09
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-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine (CID 78427558) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-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-[(4,7-difluoro-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-[(4,7-difluoro-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)cc(F)c2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is UAKMKAKGWZWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c1-12-8-14-21(25)17(9-15(24)22(14)27-12)34-23-29-18(11-20(30-23)33-6-4-26-5-7-33)28-19-10-16(31-32-19)13-2-3-13/h8-11,13,26-27H,2-7H2,1H3,(H2,28,29,30,31,32).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 466.50 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 N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 78427558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).