2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol

C25H26FN5O — CID 44564995

IUPAC2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCN(CCO)CC4)ccc23)n1
InChIInChI=1S/C25H26FN5O/c26-19-4-1-17(2-5-19)24-23(21-7-10-28-25(27)30-21)20-6-3-18(15-22(20)29-24)16-8-11-31(12-9-16)13-14-32/h1-7,10,15-16,29,32H,8-9,11-14H2,(H2,27,28,30)
InChIKeyLKPOYAXBCCYMBE-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.18
Rot. Bonds5

About 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol

2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol (PubChem CID 44564995) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol
PubChem CID44564995
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCN(CCO)CC4)ccc23)n1
InChIInChI=1S/C25H26FN5O/c26-19-4-1-17(2-5-19)24-23(21-7-10-28-25(27)30-21)20-6-3-18(15-22(20)29-24)16-8-11-31(12-9-16)13-14-32/h1-7,10,15-16,29,32H,8-9,11-14H2,(H2,27,28,30)
InChIKeyLKPOYAXBCCYMBE-UHFFFAOYSA-N
XLogP4.18
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol (CID 44564995) is 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol is Nc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCN(CCO)CC4)ccc23)n1.
What is the InChIKey of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol?
The InChIKey is LKPOYAXBCCYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c26-19-4-1-17(2-5-19)24-23(21-7-10-28-25(27)30-21)20-6-3-18(15-22(20)29-24)16-8-11-31(12-9-16)13-14-32/h1-7,10,15-16,29,32H,8-9,11-14H2,(H2,27,28,30).
What are the key properties of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol?
2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol has a molecular weight of 431.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 44564995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).