HWWPTUIPLTUDQJ-DENIHFKCSA-N

Name: HWWPTUIPLTUDQJ-DENIHFKCSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₅F₂N₅O₂ — CID 90232119

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[[(2R,5R)-1-[2-[6-[difluoro(phenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one

SMILESC[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)c4ccccc4)cc32)[C@@H](CN2CCCC2=O)CN1

InChIInChI=1S/C28H35F2N5O2/c1-19-15-34(22(14-31-19)16-33-11-7-10-24(33)36)17-25(37)35-18-27(2,3)26-23(35)12-21(13-32-26)28(29,30)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,31H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1

InChIKeyHWWPTUIPLTUDQJ-DENIHFKCSA-N

MW511.62 g/mol

LogP3.13

Rot. Bonds6

About HWWPTUIPLTUDQJ-DENIHFKCSA-N

HWWPTUIPLTUDQJ-DENIHFKCSA-N (PubChem CID 90232119) has the molecular formula C₂₈H₃₅F₂N₅O₂ and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-[[(2R,5R)-1-[2-[6-[difluoro(phenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name	HWWPTUIPLTUDQJ-DENIHFKCSA-N
PubChem CID	90232119
Molecular Formula	C₂₈H₃₅F₂N₅O₂
Molecular Weight	511.62 g/mol
Exact Mass	511.28
IUPAC Name	1-[[(2R,5R)-1-[2-[6-[difluoro(phenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one
SMILES	C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)c4ccccc4)cc32)[C@@H](CN2CCCC2=O)CN1
InChI	InChI=1S/C28H35F2N5O2/c1-19-15-34(22(14-31-19)16-33-11-7-10-24(33)36)17-25(37)35-18-27(2,3)26-23(35)12-21(13-32-26)28(29,30)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,31H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1
InChIKey	HWWPTUIPLTUDQJ-DENIHFKCSA-N
XLogP	3.13
TPSA	68.78 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of HWWPTUIPLTUDQJ-DENIHFKCSA-N?

The IUPAC name of HWWPTUIPLTUDQJ-DENIHFKCSA-N (CID 90232119) is 1-[[(2R,5R)-1-[2-[6-[difluoro(phenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one.

What is the SMILES notation for HWWPTUIPLTUDQJ-DENIHFKCSA-N?

The canonical SMILES for HWWPTUIPLTUDQJ-DENIHFKCSA-N is C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)c4ccccc4)cc32)[C@@H](CN2CCCC2=O)CN1.

What is the InChIKey of HWWPTUIPLTUDQJ-DENIHFKCSA-N?

The InChIKey is HWWPTUIPLTUDQJ-DENIHFKCSA-N. The full InChI is InChI=1S/C28H35F2N5O2/c1-19-15-34(22(14-31-19)16-33-11-7-10-24(33)36)17-25(37)35-18-27(2,3)26-23(35)12-21(13-32-26)28(29,30)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,31H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1.

What are the key properties of HWWPTUIPLTUDQJ-DENIHFKCSA-N?

HWWPTUIPLTUDQJ-DENIHFKCSA-N has a molecular weight of 511.62 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for HWWPTUIPLTUDQJ-DENIHFKCSA-N is sourced from PubChem (CID 90232119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 90232119 — identifiers, structure, computed properties (public domain)

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