[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone

C21H19F4N3O2 — CID 162748956

IUPAC[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H19F4N3O2/c1-30-17-3-2-13(10-15(17)21(23,24)25)20(29)28-8-5-12(6-9-28)18-14-4-7-26-19(14)27-11-16(18)22/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,27)
InChIKeyUALYYIPKBINWRL-UHFFFAOYSA-N
MW421.39 g/mol
LogP4.75
Rot. Bonds3

About [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone (PubChem CID 162748956) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
PubChem CID162748956
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H19F4N3O2/c1-30-17-3-2-13(10-15(17)21(23,24)25)20(29)28-8-5-12(6-9-28)18-14-4-7-26-19(14)27-11-16(18)22/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,27)
InChIKeyUALYYIPKBINWRL-UHFFFAOYSA-N
XLogP4.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]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

(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749049
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 162748993
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 162749013
[4-methoxy-3-(trifluoromethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749408
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 162749159
(5-chloro-2-pyridinyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748954
[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162748774
[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 88859102
4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
[3,5-difluoro-4-(trifluoromethoxy)phenyl]-[4-(5-fluoro-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749099

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone (CID 162748956) is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone is COc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1C(F)(F)F.
What is the InChIKey of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is UALYYIPKBINWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-30-17-3-2-13(10-15(17)21(23,24)25)20(29)28-8-5-12(6-9-28)18-14-4-7-26-19(14)27-11-16(18)22/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,27).
What are the key properties of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone?
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 421.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162748956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).