(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol

C18H20N4O — CID 99933862

IUPAC(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccc2[nH]cc(-c3nccc(N4CCC[C@@H](O)C4)n3)c2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-16-14(9-12)15(10-20-16)18-19-7-6-17(21-18)22-8-2-3-13(23)11-22/h4-7,9-10,13,20,23H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyLEXASTRIYZMCQV-CYBMUJFWSA-N
MW308.39 g/mol
LogP2.89
Rot. Bonds2

About (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol

(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 99933862) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID99933862
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccc2[nH]cc(-c3nccc(N4CCC[C@@H](O)C4)n3)c2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-16-14(9-12)15(10-20-16)18-19-7-6-17(21-18)22-8-2-3-13(23)11-22/h4-7,9-10,13,20,23H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyLEXASTRIYZMCQV-CYBMUJFWSA-N
XLogP2.89
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
(3S)-1-[2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]piperidin-3-ol
CID 95205893
1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
CID 77088330
(3S)-1-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95121742
1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 53214047
(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99930102
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95122705
1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 72912997
(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95525382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol (CID 99933862) is (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol is Cc1ccc2[nH]cc(-c3nccc(N4CCC[C@@H](O)C4)n3)c2c1.
What is the InChIKey of (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is LEXASTRIYZMCQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-4-5-16-14(9-12)15(10-20-16)18-19-7-6-17(21-18)22-8-2-3-13(23)11-22/h4-7,9-10,13,20,23H,2-3,8,11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 308.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 99933862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).