[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C21H20F3N3O2 — CID 156810722

IUPAC[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(-n2ccc3cc(C(=O)N4CCC(C(F)(F)F)CC4)cnc32)cc1
InChIInChI=1S/C21H20F3N3O2/c1-29-18-4-2-17(3-5-18)27-11-6-14-12-15(13-25-19(14)27)20(28)26-9-7-16(8-10-26)21(22,23)24/h2-6,11-13,16H,7-10H2,1H3
InChIKeyRRZFSKAVXGATFS-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.45
Rot. Bonds3

About [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 156810722) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID156810722
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(-n2ccc3cc(C(=O)N4CCC(C(F)(F)F)CC4)cnc32)cc1
InChIInChI=1S/C21H20F3N3O2/c1-29-18-4-2-17(3-5-18)27-11-6-14-12-15(13-25-19(14)27)20(28)26-9-7-16(8-10-26)21(22,23)24/h2-6,11-13,16H,7-10H2,1H3
InChIKeyRRZFSKAVXGATFS-UHFFFAOYSA-N
XLogP4.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 156810722) is [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is COc1ccc(-n2ccc3cc(C(=O)N4CCC(C(F)(F)F)CC4)cnc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RRZFSKAVXGATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-29-18-4-2-17(3-5-18)27-11-6-14-12-15(13-25-19(14)27)20(28)26-9-7-16(8-10-26)21(22,23)24/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 403.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 156810722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).