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

C24H27FN8O2 — CID 90147124

IUPAC[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(CO)C4)n3)ccc2[nH]1
InChIInChI=1S/C24H27FN8O2/c1-13-8-16-17(27-13)4-5-19(23(16)25)35-24-29-20(28-21-9-18(31-32-21)14-2-3-14)10-22(30-24)33-7-6-26-15(11-33)12-34/h4-5,8-10,14-15,26-27,34H,2-3,6-7,11-12H2,1H3,(H2,28,29,30,31,32)
InChIKeyDUYLGBGTEWBEMZ-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.31
Rot. Bonds7

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

[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol (PubChem CID 90147124) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol
PubChem CID90147124
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(CO)C4)n3)ccc2[nH]1
InChIInChI=1S/C24H27FN8O2/c1-13-8-16-17(27-13)4-5-19(23(16)25)35-24-29-20(28-21-9-18(31-32-21)14-2-3-14)10-22(30-24)33-7-6-26-15(11-33)12-34/h4-5,8-10,14-15,26-27,34H,2-3,6-7,11-12H2,1H3,(H2,28,29,30,31,32)
InChIKeyDUYLGBGTEWBEMZ-UHFFFAOYSA-N
XLogP3.31
TPSA127.01 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol?
The IUPAC name of [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol (CID 90147124) is [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol.
What is the SMILES notation for [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol?
The canonical SMILES for [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(CO)C4)n3)ccc2[nH]1.
What is the InChIKey of [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol?
The InChIKey is DUYLGBGTEWBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-13-8-16-17(27-13)4-5-19(23(16)25)35-24-29-20(28-21-9-18(31-32-21)14-2-3-14)10-22(30-24)33-7-6-26-15(11-33)12-34/h4-5,8-10,14-15,26-27,34H,2-3,6-7,11-12H2,1H3,(H2,28,29,30,31,32).
What are the key properties of [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol?
[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol has a molecular weight of 478.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 90147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).