4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one

C25H33N9O — CID 118459759

IUPAC4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4c(n3)N3C(C=C4)C(=O)NCC34CCCC4)nn2)CC1
InChIInChI=1S/C25H33N9O/c1-17(2)32-11-13-33(14-12-32)21-8-7-20(30-31-21)28-24-26-15-18-5-6-19-23(35)27-16-25(9-3-4-10-25)34(19)22(18)29-24/h5-8,15,17,19H,3-4,9-14,16H2,1-2H3,(H,27,35)(H,26,28,29,30)
InChIKeyVRZRGJKUWQYCDL-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.18
Rot. Bonds4

About 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one

4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one (PubChem CID 118459759) has the molecular formula C25H33N9O and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one.

Molecular Properties

Compound Name4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one
PubChem CID118459759
Molecular FormulaC25H33N9O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC Name4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4c(n3)N3C(C=C4)C(=O)NCC34CCCC4)nn2)CC1
InChIInChI=1S/C25H33N9O/c1-17(2)32-11-13-33(14-12-32)21-8-7-20(30-31-21)28-24-26-15-18-5-6-19-23(35)27-16-25(9-3-4-10-25)34(19)22(18)29-24/h5-8,15,17,19H,3-4,9-14,16H2,1-2H3,(H,27,35)(H,26,28,29,30)
InChIKeyVRZRGJKUWQYCDL-UHFFFAOYSA-N
XLogP2.18
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one with MolForge

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Related Compounds

4-[[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 118459702
4-[[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 118459722
4-[[5-[4-(3,3-dimethylbutyl)-3-ethynylpiperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 123698174
4-[[5-(4-cyclobutylpiperazine-1-carbonyl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 118459725
4-[[5-(4-propan-2-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6-triene-13,1'-cyclohexane]-10-one
CID 86270452
4-[[5-[3-(diethylamino)pyrrolidin-1-yl]piperidin-2-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 118459800
4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,4'-oxane]-10-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,4'-oxane]-6-one
CID 159515798
1-[6-(1-hydroxyethyl)-2-[(6-piperazin-1-ylpyridazin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidine-3-carboxylic acid
CID 139529211
4-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),4,8-triene-13,1'-cyclohexane]-10-one
CID 146605432
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-14,1'-cyclohexane]-8-one
CID 123476117
4-[[5-[(3R)-3-methyl-4-propylpiperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 144708289
4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 145041166

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one?
The IUPAC name of 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one (CID 118459759) is 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one.
What is the SMILES notation for 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one?
The canonical SMILES for 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one is CC(C)N1CCN(c2ccc(Nc3ncc4c(n3)N3C(C=C4)C(=O)NCC34CCCC4)nn2)CC1.
What is the InChIKey of 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one?
The InChIKey is VRZRGJKUWQYCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O/c1-17(2)32-11-13-33(14-12-32)21-8-7-20(30-31-21)28-24-26-15-18-5-6-19-23(35)27-16-25(9-3-4-10-25)34(19)22(18)29-24/h5-8,15,17,19H,3-4,9-14,16H2,1-2H3,(H,27,35)(H,26,28,29,30).
What are the key properties of 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one?
4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one has a molecular weight of 475.60 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclopentane]-11-one is sourced from PubChem (CID 118459759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).