3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

C27H29FN6O2 — CID 59823243

IUPAC3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1cc2c(F)c(Oc3ccnc(Nc4cccc(C(=O)NCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C27H29FN6O2/c1-18-16-21-22(31-18)8-9-23(25(21)28)36-24-10-11-30-27(33-24)32-20-7-5-6-19(17-20)26(35)29-12-15-34-13-3-2-4-14-34/h5-11,16-17,31H,2-4,12-15H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyUUXHSJCYYVPTSM-UHFFFAOYSA-N
MW488.57 g/mol
LogP5.16
Rot. Bonds8

About 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 59823243) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID59823243
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1cc2c(F)c(Oc3ccnc(Nc4cccc(C(=O)NCCN5CCCCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C27H29FN6O2/c1-18-16-21-22(31-18)8-9-23(25(21)28)36-24-10-11-30-27(33-24)32-20-7-5-6-19(17-20)26(35)29-12-15-34-13-3-2-4-14-34/h5-11,16-17,31H,2-4,12-15H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyUUXHSJCYYVPTSM-UHFFFAOYSA-N
XLogP5.16
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (CID 59823243) is 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is Cc1cc2c(F)c(Oc3ccnc(Nc4cccc(C(=O)NCCN5CCCCC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is UUXHSJCYYVPTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-18-16-21-22(31-18)8-9-23(25(21)28)36-24-10-11-30-27(33-24)32-20-7-5-6-19(17-20)26(35)29-12-15-34-13-3-2-4-14-34/h5-11,16-17,31H,2-4,12-15H2,1H3,(H,29,35)(H,30,32,33).
What are the key properties of 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 488.57 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 59823243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).