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

C24H26FN7O2 — CID 90147381

IUPAC1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESC/C=C/c1cc(Nc2cc(N3CCC(O)CC3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C24H26FN7O2/c1-3-4-15-12-21(31-30-15)27-20-13-22(32-9-7-16(33)8-10-32)29-24(28-20)34-19-6-5-18-17(23(19)25)11-14(2)26-18/h3-6,11-13,16,26,33H,7-10H2,1-2H3,(H2,27,28,29,30,31)/b4-3+
InChIKeyIXRGUTIUICXUDL-ONEGZZNKSA-N
MW463.52 g/mol
LogP4.66
Rot. Bonds6

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

1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 90147381) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID90147381
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESC/C=C/c1cc(Nc2cc(N3CCC(O)CC3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C24H26FN7O2/c1-3-4-15-12-21(31-30-15)27-20-13-22(32-9-7-16(33)8-10-32)29-24(28-20)34-19-6-5-18-17(23(19)25)11-14(2)26-18/h3-6,11-13,16,26,33H,7-10H2,1-2H3,(H2,27,28,29,30,31)/b4-3+
InChIKeyIXRGUTIUICXUDL-ONEGZZNKSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
MLi-2
CID 78319901
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
3-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl}methylidene)amino]oxy}propan-1-ol
CID 23646068
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
[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
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanol
CID 57403779
Ras/Rac Transformation Blocker, SCH 51344
CID 9995890
6-{2-amino-6-[(3R)-3-ethyl-4-morpholinyl]-4-pyrimidinyl}-4-(methyloxy)-1H-indazol-3-amine
CID 58504384
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 90147381) is 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is C/C=C/c1cc(Nc2cc(N3CCC(O)CC3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1.
What is the InChIKey of 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is IXRGUTIUICXUDL-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-3-4-15-12-21(31-30-15)27-20-13-22(32-9-7-16(33)8-10-32)29-24(28-20)34-19-6-5-18-17(23(19)25)11-14(2)26-18/h3-6,11-13,16,26,33H,7-10H2,1-2H3,(H2,27,28,29,30,31)/b4-3+.
What are the key properties of 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 463.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 90147381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).