2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol

C25H29FN8O2 — CID 78427560

IUPAC2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCO)CC4)n3)ccc2[nH]1
InChIInChI=1S/C25H29FN8O2/c1-15-12-17-18(27-15)4-5-20(24(17)26)36-25-29-21(28-22-13-19(31-32-22)16-2-3-16)14-23(30-25)34-8-6-33(7-9-34)10-11-35/h4-5,12-14,16,27,35H,2-3,6-11H2,1H3,(H2,28,29,30,31,32)
InChIKeyVLMFGWBZBFNVPM-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.66
Rot. Bonds8

About 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 78427560) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID78427560
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Name2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCO)CC4)n3)ccc2[nH]1
InChIInChI=1S/C25H29FN8O2/c1-15-12-17-18(27-15)4-5-20(24(17)26)36-25-29-21(28-22-13-19(31-32-22)16-2-3-16)14-23(30-25)34-8-6-33(7-9-34)10-11-35/h4-5,12-14,16,27,35H,2-3,6-11H2,1H3,(H2,28,29,30,31,32)
InChIKeyVLMFGWBZBFNVPM-UHFFFAOYSA-N
XLogP3.66
TPSA118.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 78427560) is 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCO)CC4)n3)ccc2[nH]1.
What is the InChIKey of 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is VLMFGWBZBFNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c1-15-12-17-18(27-15)4-5-20(24(17)26)36-25-29-21(28-22-13-19(31-32-22)16-2-3-16)14-23(30-25)34-8-6-33(7-9-34)10-11-35/h4-5,12-14,16,27,35H,2-3,6-11H2,1H3,(H2,28,29,30,31,32).
What are the key properties of 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 492.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 78427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).