KWHVGESHBJDSRR-MLGOLLRUSA-N

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

C₁₉H₁₉F₄N₅OS — CID 122515383

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

IUPAC2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-[4-(difluoromethyl)thiophen-3-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide

SMILESN[C@@H]1[C@H](Nc2ccc3ccc(C(=O)Nc4cscc4C(F)F)n3n2)CCCC1(F)F

InChIInChI=1S/C19H19F4N5OS/c20-17(21)11-8-30-9-13(11)26-18(29)14-5-3-10-4-6-15(27-28(10)14)25-12-2-1-7-19(22,23)16(12)24/h3-6,8-9,12,16-17H,1-2,7,24H2,(H,25,27)(H,26,29)/t12-,16-/m1/s1

InChIKeyKWHVGESHBJDSRR-MLGOLLRUSA-N

MW441.45 g/mol

LogP4.51

Rot. Bonds5

About KWHVGESHBJDSRR-MLGOLLRUSA-N

KWHVGESHBJDSRR-MLGOLLRUSA-N (PubChem CID 122515383) has the molecular formula C₁₉H₁₉F₄N₅OS and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-[4-(difluoromethyl)thiophen-3-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name	KWHVGESHBJDSRR-MLGOLLRUSA-N
PubChem CID	122515383
Molecular Formula	C₁₉H₁₉F₄N₅OS
Molecular Weight	441.45 g/mol
Exact Mass	441.12
IUPAC Name	2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-[4-(difluoromethyl)thiophen-3-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILES	N[C@@H]1[C@H](Nc2ccc3ccc(C(=O)Nc4cscc4C(F)F)n3n2)CCCC1(F)F
InChI	InChI=1S/C19H19F4N5OS/c20-17(21)11-8-30-9-13(11)26-18(29)14-5-3-10-4-6-15(27-28(10)14)25-12-2-1-7-19(22,23)16(12)24/h3-6,8-9,12,16-17H,1-2,7,24H2,(H,25,27)(H,26,29)/t12-,16-/m1/s1
InChIKey	KWHVGESHBJDSRR-MLGOLLRUSA-N
XLogP	4.51
TPSA	84.45 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of KWHVGESHBJDSRR-MLGOLLRUSA-N?

The IUPAC name of KWHVGESHBJDSRR-MLGOLLRUSA-N (CID 122515383) is 2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-[4-(difluoromethyl)thiophen-3-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for KWHVGESHBJDSRR-MLGOLLRUSA-N?

The canonical SMILES for KWHVGESHBJDSRR-MLGOLLRUSA-N is N[C@@H]1[C@H](Nc2ccc3ccc(C(=O)Nc4cscc4C(F)F)n3n2)CCCC1(F)F.

What is the InChIKey of KWHVGESHBJDSRR-MLGOLLRUSA-N?

The InChIKey is KWHVGESHBJDSRR-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H19F4N5OS/c20-17(21)11-8-30-9-13(11)26-18(29)14-5-3-10-4-6-15(27-28(10)14)25-12-2-1-7-19(22,23)16(12)24/h3-6,8-9,12,16-17H,1-2,7,24H2,(H,25,27)(H,26,29)/t12-,16-/m1/s1.

What are the key properties of KWHVGESHBJDSRR-MLGOLLRUSA-N?

KWHVGESHBJDSRR-MLGOLLRUSA-N has a molecular weight of 441.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for KWHVGESHBJDSRR-MLGOLLRUSA-N is sourced from PubChem (CID 122515383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122515383 — identifiers, structure, computed properties (public domain)

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