5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C19H16F2N6O3 — CID 171368390

IUPAC5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(OC(F)F)cn3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H16F2N6O3/c20-18(21)30-9-1-2-14(23-7-9)11-5-10(11)12-6-15(26-27-4-3-22-16(12)27)13-8-24-19(29)25-17(13)28/h1-4,6-7,10-11,13,18H,5,8H2,(H2,24,25,28,29)/t10-,11-,13?/m1/s1
InChIKeyHGYNGMUCQVPBKK-KKPNGEORSA-N
MW414.37 g/mol
LogP1.92
Rot. Bonds5

About 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368390) has the molecular formula C19H16F2N6O3 and a molecular weight of 414.37 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368390
Molecular FormulaC19H16F2N6O3
Molecular Weight414.37 g/mol
Exact Mass414.13
IUPAC Name5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(OC(F)F)cn3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H16F2N6O3/c20-18(21)30-9-1-2-14(23-7-9)11-5-10(11)12-6-15(26-27-4-3-22-16(12)27)13-8-24-19(29)25-17(13)28/h1-4,6-7,10-11,13,18H,5,8H2,(H2,24,25,28,29)/t10-,11-,13?/m1/s1
InChIKeyHGYNGMUCQVPBKK-KKPNGEORSA-N
XLogP1.92
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
CID 21081523
N-[[4-[5-[(4-aminocyclohexylidene)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 11504713
2-(4-fluorophenyl)-N-[[3-fluoro-4-(5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide
CID 11627441
N-[[3-fluoro-4-[5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081481
N-[[3-fluoro-4-[5-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081488
2-(4-fluorophenyl)-N-[[3-fluoro-4-[5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]acetamide
CID 21081489
2-(4-fluorophenyl)-N-[[3-fluoro-4-[5-[(piperidin-4-ylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]acetamide
CID 21081490
N-[[4-[5-[[3-(aminomethyl)azetidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081514
N-[[4-[5-[(4-acetamidopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081519
N-[[4-[5-[[4-(aminomethyl)piperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081520
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251922

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368390) is 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@@H]3C[C@H]3c3ccc(OC(F)F)cn3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HGYNGMUCQVPBKK-KKPNGEORSA-N. The full InChI is InChI=1S/C19H16F2N6O3/c20-18(21)30-9-1-2-14(23-7-9)11-5-10(11)12-6-15(26-27-4-3-22-16(12)27)13-8-24-19(29)25-17(13)28/h1-4,6-7,10-11,13,18H,5,8H2,(H2,24,25,28,29)/t10-,11-,13?/m1/s1.
What are the key properties of 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 414.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1R,2R)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).