ZYCQDVMMJMLMBT-UHFFFAOYSA-N

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

C₂₇H₂₅FN₆OS — CID 121249716

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

IUPAC2-tert-butyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one

SMILESCn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C(C)(C)C)sc6C5=O)c(F)c4)c3[nH]2)cn1

InChIInChI=1S/C27H25FN6OS/c1-27(2,3)21-10-17-14-34(26(35)23(17)36-21)13-16-6-5-15(9-20(16)28)19-7-8-29-25-22(19)31-24(32-25)18-11-30-33(4)12-18/h5-12H,13-14H2,1-4H3,(H,29,31,32)

InChIKeyZYCQDVMMJMLMBT-UHFFFAOYSA-N

MW500.60 g/mol

LogP5.68

Rot. Bonds4

About ZYCQDVMMJMLMBT-UHFFFAOYSA-N

ZYCQDVMMJMLMBT-UHFFFAOYSA-N (PubChem CID 121249716) has the molecular formula C₂₇H₂₅FN₆OS and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-tert-butyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name	ZYCQDVMMJMLMBT-UHFFFAOYSA-N
PubChem CID	121249716
Molecular Formula	C₂₇H₂₅FN₆OS
Molecular Weight	500.60 g/mol
Exact Mass	500.18
IUPAC Name	2-tert-butyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILES	Cn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C(C)(C)C)sc6C5=O)c(F)c4)c3[nH]2)cn1
InChI	InChI=1S/C27H25FN6OS/c1-27(2,3)21-10-17-14-34(26(35)23(17)36-21)13-16-6-5-15(9-20(16)28)19-7-8-29-25-22(19)31-24(32-25)18-11-30-33(4)12-18/h5-12H,13-14H2,1-4H3,(H,29,31,32)
InChIKey	ZYCQDVMMJMLMBT-UHFFFAOYSA-N
XLogP	5.68
TPSA	79.70 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ZYCQDVMMJMLMBT-UHFFFAOYSA-N (CID 121249716) is 2-tert-butyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one.

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

The canonical SMILES for ZYCQDVMMJMLMBT-UHFFFAOYSA-N is Cn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C(C)(C)C)sc6C5=O)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of ZYCQDVMMJMLMBT-UHFFFAOYSA-N?

The InChIKey is ZYCQDVMMJMLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6OS/c1-27(2,3)21-10-17-14-34(26(35)23(17)36-21)13-16-6-5-15(9-20(16)28)19-7-8-29-25-22(19)31-24(32-25)18-11-30-33(4)12-18/h5-12H,13-14H2,1-4H3,(H,29,31,32).

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

ZYCQDVMMJMLMBT-UHFFFAOYSA-N has a molecular weight of 500.60 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ZYCQDVMMJMLMBT-UHFFFAOYSA-N is sourced from PubChem (CID 121249716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121249716 — identifiers, structure, computed properties (public domain)

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