HDYPOMCUWANRIV-UHFFFAOYSA-N

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

C₃₄H₃₁F₂N₇O₂S — CID 118524051

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

IUPAC5-[5-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

SMILESCc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4cnc(N5CCN(C)CC5)c(F)c4)cnc32)cc1

InChIInChI=1S/C34H31F2N7O2S/c1-23-6-8-29(9-7-23)46(44,45)43-22-31(27-19-39-42(21-27)20-24-4-3-5-28(35)14-24)30-15-25(17-37-33(30)43)26-16-32(36)34(38-18-26)41-12-10-40(2)11-13-41/h3-9,14-19,21-22H,10-13,20H2,1-2H3

InChIKeyHDYPOMCUWANRIV-UHFFFAOYSA-N

MW639.73 g/mol

LogP5.59

Rot. Bonds7

About HDYPOMCUWANRIV-UHFFFAOYSA-N

HDYPOMCUWANRIV-UHFFFAOYSA-N (PubChem CID 118524051) has the molecular formula C₃₄H₃₁F₂N₇O₂S and a molecular weight of 639.73 g/mol. Its IUPAC name is 5-[5-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name	HDYPOMCUWANRIV-UHFFFAOYSA-N
PubChem CID	118524051
Molecular Formula	C₃₄H₃₁F₂N₇O₂S
Molecular Weight	639.73 g/mol
Exact Mass	639.22
IUPAC Name	5-[5-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILES	Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4cnc(N5CCN(C)CC5)c(F)c4)cnc32)cc1
InChI	InChI=1S/C34H31F2N7O2S/c1-23-6-8-29(9-7-23)46(44,45)43-22-31(27-19-39-42(21-27)20-24-4-3-5-28(35)14-24)30-15-25(17-37-33(30)43)26-16-32(36)34(38-18-26)41-12-10-40(2)11-13-41/h3-9,14-19,21-22H,10-13,20H2,1-2H3
InChIKey	HDYPOMCUWANRIV-UHFFFAOYSA-N
XLogP	5.59
TPSA	89.15 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.73
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of HDYPOMCUWANRIV-UHFFFAOYSA-N?

The IUPAC name of HDYPOMCUWANRIV-UHFFFAOYSA-N (CID 118524051) is 5-[5-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

What is the SMILES notation for HDYPOMCUWANRIV-UHFFFAOYSA-N?

The canonical SMILES for HDYPOMCUWANRIV-UHFFFAOYSA-N is Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4cnc(N5CCN(C)CC5)c(F)c4)cnc32)cc1.

What is the InChIKey of HDYPOMCUWANRIV-UHFFFAOYSA-N?

The InChIKey is HDYPOMCUWANRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N7O2S/c1-23-6-8-29(9-7-23)46(44,45)43-22-31(27-19-39-42(21-27)20-24-4-3-5-28(35)14-24)30-15-25(17-37-33(30)43)26-16-32(36)34(38-18-26)41-12-10-40(2)11-13-41/h3-9,14-19,21-22H,10-13,20H2,1-2H3.

What are the key properties of HDYPOMCUWANRIV-UHFFFAOYSA-N?

HDYPOMCUWANRIV-UHFFFAOYSA-N has a molecular weight of 639.73 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for HDYPOMCUWANRIV-UHFFFAOYSA-N is sourced from PubChem (CID 118524051), 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 118524051 — identifiers, structure, computed properties (public domain)

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