2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C21H22N6O2 — CID 154571966

IUPAC2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc2cccnn12)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C21H22N6O2/c28-19-14-6-8-21(17(14)24-18(25-19)13-4-5-13)7-2-10-26(12-21)20(29)15-11-22-16-3-1-9-23-27(15)16/h1,3,9,11,13H,2,4-8,10,12H2,(H,24,25,28)
InChIKeyFUJLANXVNOYBGJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.81
Rot. Bonds2

About 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154571966) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154571966
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc2cccnn12)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C21H22N6O2/c28-19-14-6-8-21(17(14)24-18(25-19)13-4-5-13)7-2-10-26(12-21)20(29)15-11-22-16-3-1-9-23-27(15)16/h1,3,9,11,13H,2,4-8,10,12H2,(H,24,25,28)
InChIKeyFUJLANXVNOYBGJ-UHFFFAOYSA-N
XLogP1.81
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10077269, Example 6
CID 118863057
4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 117977934
5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 56676913
US10077269, Example 42
CID 118875412
(6S,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074602
(6R,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074603
2-cyclohexyl-N-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)acetamide
CID 75386616
6-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid butylamide
CID 11569094
6-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid pentylamide
CID 11598315
6-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid (3-cyclopropylpropyl)amide
CID 11677995
6-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid (3-methylbutyl)amide
CID 11706115
8-(cyclopropylamino)-6-[[4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]amino]-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624572

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154571966) is 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=C(c1cnc2cccnn12)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1.
What is the InChIKey of 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is FUJLANXVNOYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-19-14-6-8-21(17(14)24-18(25-19)13-4-5-13)7-2-10-26(12-21)20(29)15-11-22-16-3-1-9-23-27(15)16/h1,3,9,11,13H,2,4-8,10,12H2,(H,24,25,28).
What are the key properties of 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 390.45 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(imidazo[1,2-b]pyridazine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154571966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).