4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one

C19H23F3N4O — CID 166594385

IUPAC4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
SMILESCc1cc2c(C3CC(=O)NC(N4CCCCC4C(F)(F)F)C3)ccnc2[nH]1
InChIInChI=1S/C19H23F3N4O/c1-11-8-14-13(5-6-23-18(14)24-11)12-9-16(25-17(27)10-12)26-7-3-2-4-15(26)19(20,21)22/h5-6,8,12,15-16H,2-4,7,9-10H2,1H3,(H,23,24)(H,25,27)
InChIKeySXNCVERKDIBCBR-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.61
Rot. Bonds2

About 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one

4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one (PubChem CID 166594385) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
PubChem CID166594385
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
SMILESCc1cc2c(C3CC(=O)NC(N4CCCCC4C(F)(F)F)C3)ccnc2[nH]1
InChIInChI=1S/C19H23F3N4O/c1-11-8-14-13(5-6-23-18(14)24-11)12-9-16(25-17(27)10-12)26-7-3-2-4-15(26)19(20,21)22/h5-6,8,12,15-16H,2-4,7,9-10H2,1H3,(H,23,24)(H,25,27)
InChIKeySXNCVERKDIBCBR-UHFFFAOYSA-N
XLogP3.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one (CID 166594385) is 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one is Cc1cc2c(C3CC(=O)NC(N4CCCCC4C(F)(F)F)C3)ccnc2[nH]1.
What is the InChIKey of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The InChIKey is SXNCVERKDIBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-11-8-14-13(5-6-23-18(14)24-11)12-9-16(25-17(27)10-12)26-7-3-2-4-15(26)19(20,21)22/h5-6,8,12,15-16H,2-4,7,9-10H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one has a molecular weight of 380.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 166594385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).