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

C24H26FN7O2 — CID 90147253

IUPAC1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCC(O)CC4)n3)ccc2[nH]1
InChIInChI=1S/C24H26FN7O2/c1-13-10-16-17(26-13)4-5-19(23(16)25)34-24-28-20(27-21-11-18(30-31-21)14-2-3-14)12-22(29-24)32-8-6-15(33)7-9-32/h4-5,10-12,14-15,26,33H,2-3,6-9H2,1H3,(H2,27,28,29,30,31)
InChIKeyZWCSJQSSFFGUEM-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.50
Rot. Bonds6

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

1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 90147253) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol
PubChem CID90147253
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCC(O)CC4)n3)ccc2[nH]1
InChIInChI=1S/C24H26FN7O2/c1-13-10-16-17(26-13)4-5-19(23(16)25)34-24-28-20(27-21-11-18(30-31-21)14-2-3-14)12-22(29-24)32-8-6-15(33)7-9-32/h4-5,10-12,14-15,26,33H,2-3,6-9H2,1H3,(H2,27,28,29,30,31)
InChIKeyZWCSJQSSFFGUEM-UHFFFAOYSA-N
XLogP4.50
TPSA114.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

MLi-2
CID 78319901
[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol
CID 46239531
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038
N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394643
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900617
(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78319902
(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78321156
4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
CID 78321839
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78323982
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol
CID 46239124
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol
CID 46239125

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol (CID 90147253) is 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCC(O)CC4)n3)ccc2[nH]1.
What is the InChIKey of 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is ZWCSJQSSFFGUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-13-10-16-17(26-13)4-5-19(23(16)25)34-24-28-20(27-21-11-18(30-31-21)14-2-3-14)12-22(29-24)32-8-6-15(33)7-9-32/h4-5,10-12,14-15,26,33H,2-3,6-9H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 463.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 90147253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).