(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone

C19H23N7O — CID 125173447

IUPAC(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
SMILESC[C@@H]1CCc2[nH]nc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)c2C1
InChIInChI=1S/C19H23N7O/c1-13-2-3-15-14(12-13)18(22-21-15)19(27)25-10-8-24(9-11-25)17-5-4-16-20-6-7-26(16)23-17/h4-7,13H,2-3,8-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyBARTYCMZPMTVMP-CYBMUJFWSA-N
MW365.44 g/mol
LogP1.54
Rot. Bonds2

About (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone (PubChem CID 125173447) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
PubChem CID125173447
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
SMILESC[C@@H]1CCc2[nH]nc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)c2C1
InChIInChI=1S/C19H23N7O/c1-13-2-3-15-14(12-13)18(22-21-15)19(27)25-10-8-24(9-11-25)17-5-4-16-20-6-7-26(16)23-17/h4-7,13H,2-3,8-12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyBARTYCMZPMTVMP-CYBMUJFWSA-N
XLogP1.54
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
CID 95990066
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 166280188
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 134310589
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56910846
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 134310595
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 118792467

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone?
The IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone (CID 125173447) is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone.
What is the SMILES notation for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone?
The canonical SMILES for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone is C[C@@H]1CCc2[nH]nc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)c2C1.
What is the InChIKey of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone?
The InChIKey is BARTYCMZPMTVMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-2-3-15-14(12-13)18(22-21-15)19(27)25-10-8-24(9-11-25)17-5-4-16-20-6-7-26(16)23-17/h4-7,13H,2-3,8-12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone?
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone is sourced from PubChem (CID 125173447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).