OYYWCSJEBVGYMV-XMMPIXPASA-N

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

C₂₉H₃₀ClF₂N₇O₃ — CID 155074280

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

IUPACN-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide

SMILESCc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1

InChIInChI=1S/C29H30ClF2N7O3/c1-18-22(28(42)33-11-8-24(40)19-2-4-21(30)5-3-19)14-20(15-34-18)23-6-7-26-35-25(16-39(26)37-23)36-27(41)17-38-12-9-29(31,32)10-13-38/h2-7,14-16,24,40H,8-13,17H2,1H3,(H,33,42)(H,36,41)/t24-/m1/s1

InChIKeyOYYWCSJEBVGYMV-XMMPIXPASA-N

MW598.05 g/mol

LogP4.28

Rot. Bonds9

About OYYWCSJEBVGYMV-XMMPIXPASA-N

OYYWCSJEBVGYMV-XMMPIXPASA-N (PubChem CID 155074280) has the molecular formula C₂₉H₃₀ClF₂N₇O₃ and a molecular weight of 598.05 g/mol. Its IUPAC name is N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name	OYYWCSJEBVGYMV-XMMPIXPASA-N
PubChem CID	155074280
Molecular Formula	C₂₉H₃₀ClF₂N₇O₃
Molecular Weight	598.05 g/mol
Exact Mass	597.21
IUPAC Name	N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide
SMILES	Cc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1
InChI	InChI=1S/C29H30ClF2N7O3/c1-18-22(28(42)33-11-8-24(40)19-2-4-21(30)5-3-19)14-20(15-34-18)23-6-7-26-35-25(16-39(26)37-23)36-27(41)17-38-12-9-29(31,32)10-13-38/h2-7,14-16,24,40H,8-13,17H2,1H3,(H,33,42)(H,36,41)/t24-/m1/s1
InChIKey	OYYWCSJEBVGYMV-XMMPIXPASA-N
XLogP	4.28
TPSA	124.75 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.05
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of OYYWCSJEBVGYMV-XMMPIXPASA-N?

The IUPAC name of OYYWCSJEBVGYMV-XMMPIXPASA-N (CID 155074280) is N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for OYYWCSJEBVGYMV-XMMPIXPASA-N?

The canonical SMILES for OYYWCSJEBVGYMV-XMMPIXPASA-N is Cc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1.

What is the InChIKey of OYYWCSJEBVGYMV-XMMPIXPASA-N?

The InChIKey is OYYWCSJEBVGYMV-XMMPIXPASA-N. The full InChI is InChI=1S/C29H30ClF2N7O3/c1-18-22(28(42)33-11-8-24(40)19-2-4-21(30)5-3-19)14-20(15-34-18)23-6-7-26-35-25(16-39(26)37-23)36-27(41)17-38-12-9-29(31,32)10-13-38/h2-7,14-16,24,40H,8-13,17H2,1H3,(H,33,42)(H,36,41)/t24-/m1/s1.

What are the key properties of OYYWCSJEBVGYMV-XMMPIXPASA-N?

OYYWCSJEBVGYMV-XMMPIXPASA-N has a molecular weight of 598.05 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for OYYWCSJEBVGYMV-XMMPIXPASA-N is sourced from PubChem (CID 155074280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155074280 — identifiers, structure, computed properties (public domain)

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