5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide

C25H23FN6O3 — CID 155074070

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O3/c1-14(33)29-22-13-32-23(30-22)8-7-21(31-32)17-10-20(25(35-2)28-12-17)24(34)27-11-16-9-19(16)15-3-5-18(26)6-4-15/h3-8,10,12-13,16,19H,9,11H2,1-2H3,(H,27,34)(H,29,33)/t16-,19-/m1/s1
InChIKeyJNHUGOVUTJWMHW-VQIMIIECSA-N
MW474.50 g/mol
LogP3.43
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074070) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074070
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O3/c1-14(33)29-22-13-32-23(30-22)8-7-21(31-32)17-10-20(25(35-2)28-12-17)24(34)27-11-16-9-19(16)15-3-5-18(26)6-4-15/h3-8,10,12-13,16,19H,9,11H2,1-2H3,(H,27,34)(H,29,33)/t16-,19-/m1/s1
InChIKeyJNHUGOVUTJWMHW-VQIMIIECSA-N
XLogP3.43
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ask1-IN-6
CID 153384510
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25030803
(3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 44426971
N-ethyl-1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153284
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074070) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is JNHUGOVUTJWMHW-VQIMIIECSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-14(33)29-22-13-32-23(30-22)8-7-21(31-32)17-10-20(25(35-2)28-12-17)24(34)27-11-16-9-19(16)15-3-5-18(26)6-4-15/h3-8,10,12-13,16,19H,9,11H2,1-2H3,(H,27,34)(H,29,33)/t16-,19-/m1/s1.
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).