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

C21H22FN7O2 — CID 90147375

IUPAC2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc2c(F)c(Oc3nc(NCCO)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C21H22FN7O2/c1-11-8-13-14(24-11)4-5-16(20(13)22)31-21-26-17(23-6-7-30)10-18(27-21)25-19-9-15(28-29-19)12-2-3-12/h4-5,8-10,12,24,30H,2-3,6-7H2,1H3,(H3,23,25,26,27,28,29)
InChIKeyNSXPEWLJTJZKQH-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.95
Rot. Bonds8

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

2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol (PubChem CID 90147375) has the molecular formula C21H22FN7O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol
PubChem CID90147375
Molecular FormulaC21H22FN7O2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc2c(F)c(Oc3nc(NCCO)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1
InChIInChI=1S/C21H22FN7O2/c1-11-8-13-14(24-11)4-5-16(20(13)22)31-21-26-17(23-6-7-30)10-18(27-21)25-19-9-15(28-29-19)12-2-3-12/h4-5,8-10,12,24,30H,2-3,6-7H2,1H3,(H3,23,25,26,27,28,29)
InChIKeyNSXPEWLJTJZKQH-UHFFFAOYSA-N
XLogP3.95
TPSA123.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

MLi-2
CID 78319901
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(methylamino)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646059
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
Ras/Rac Transformation Blocker, SCH 51344
CID 9995890
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394395
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394622
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394679
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)indole-1-carboxamide
CID 59394764
(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-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78323982

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol (CID 90147375) is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol is Cc1cc2c(F)c(Oc3nc(NCCO)cc(Nc4cc(C5CC5)[nH]n4)n3)ccc2[nH]1.
What is the InChIKey of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol?
The InChIKey is NSXPEWLJTJZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O2/c1-11-8-13-14(24-11)4-5-16(20(13)22)31-21-26-17(23-6-7-30)10-18(27-21)25-19-9-15(28-29-19)12-2-3-12/h4-5,8-10,12,24,30H,2-3,6-7H2,1H3,(H3,23,25,26,27,28,29).
What are the key properties of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol?
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol has a molecular weight of 423.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 90147375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).