[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone

C14H15F3N4O2 — CID 155937590

IUPAC[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
SMILESCOC1(C(F)(F)F)CCCN(C(=O)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)4-2-6-21(7-13)12(22)10-9-3-5-18-11(9)20-8-19-10/h3,5,8H,2,4,6-7H2,1H3,(H,18,19,20)
InChIKeyLZPSGJMXWRZBQA-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.14
Rot. Bonds2

About [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone

[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone (PubChem CID 155937590) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
PubChem CID155937590
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
SMILESCOC1(C(F)(F)F)CCCN(C(=O)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)4-2-6-21(7-13)12(22)10-9-3-5-18-11(9)20-8-19-10/h3,5,8H,2,4,6-7H2,1H3,(H,18,19,20)
InChIKeyLZPSGJMXWRZBQA-UHFFFAOYSA-N
XLogP2.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone 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

(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 154744421
N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244264
1-methyl-1-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 172625179
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[11-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl]ethanone
CID 154850850
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 136553707
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-1-carboxylate;hydrochloride
CID 158592418
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
[3-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 155952787
1-[(3R)-3-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]prop-2-en-1-one
CID 126763758

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The IUPAC name of [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone (CID 155937590) is [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone.
What is the SMILES notation for [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The canonical SMILES for [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone is COC1(C(F)(F)F)CCCN(C(=O)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The InChIKey is LZPSGJMXWRZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-23-13(14(15,16)17)4-2-6-21(7-13)12(22)10-9-3-5-18-11(9)20-8-19-10/h3,5,8H,2,4,6-7H2,1H3,(H,18,19,20).
What are the key properties of [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone has a molecular weight of 328.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone is sourced from PubChem (CID 155937590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).