4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C19H17F4N3 — CID 71504189

IUPAC4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1
InChIInChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26)
InChIKeyIOVHCOZADQPBBL-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.85
Rot. Bonds2

About 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71504189) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71504189
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1
InChIInChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26)
InChIKeyIOVHCOZADQPBBL-UHFFFAOYSA-N
XLogP4.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 71504189) is 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IOVHCOZADQPBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 363.36 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71504189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).