2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone

C28H34N6O — CID 142598040

IUPAC2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone
SMILESC=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C(=O)N3CC4(CNC4)C3)ccc2n1
InChIInChI=1S/C28H34N6O/c1-20(12-32-10-9-22-5-3-4-6-23(22)13-32)11-30-21(2)25-15-33-14-24(7-8-26(33)31-25)27(35)34-18-28(19-34)16-29-17-28/h3-8,14-15,20,29-30H,2,9-13,16-19H2,1H3
InChIKeyFLOMYEPABWAFKX-UHFFFAOYSA-N
MW470.62 g/mol
LogP2.63
Rot. Bonds7

About 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone

2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 142598040) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID142598040
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone
SMILESC=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C(=O)N3CC4(CNC4)C3)ccc2n1
InChIInChI=1S/C28H34N6O/c1-20(12-32-10-9-22-5-3-4-6-23(22)13-32)11-30-21(2)25-15-33-14-24(7-8-26(33)31-25)27(35)34-18-28(19-34)16-29-17-28/h3-8,14-15,20,29-30H,2,9-13,16-19H2,1H3
InChIKeyFLOMYEPABWAFKX-UHFFFAOYSA-N
XLogP2.63
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

6-(azetidine-1-carbonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634459
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 138663721
methyl 2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 138663498
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[1-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]ethenyl]propan-1-amine
CID 138664103
1-[4-[2-[1-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]imidazo[1,2-a]pyrazin-6-yl]piperidin-1-yl]ethanone
CID 138663457
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 138664084
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634378
6-(difluoromethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634515
6-(4-cyanoanilino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634388
6-(1,1-difluoroethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154698469
N-[(2S,3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxybutyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138634493
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138663773

Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone (CID 142598040) is 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone is C=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C(=O)N3CC4(CNC4)C3)ccc2n1.
What is the InChIKey of 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is FLOMYEPABWAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-20(12-32-10-9-22-5-3-4-6-23(22)13-32)11-30-21(2)25-15-33-14-24(7-8-26(33)31-25)27(35)34-18-28(19-34)16-29-17-28/h3-8,14-15,20,29-30H,2,9-13,16-19H2,1H3.
What are the key properties of 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone?
2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 470.62 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.3]heptan-2-yl-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]ethenyl]imidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 142598040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).