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

C25H31N7 — CID 138664103

IUPAC3-(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
SMILESC=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C3=CN(C)NC3)cnc2n1
InChIInChI=1S/C25H31N7/c1-18(13-31-9-8-20-6-4-5-7-21(20)15-31)10-26-19(2)24-17-32-16-22(11-27-25(32)29-24)23-12-28-30(3)14-23/h4-7,11,14,16-18,26,28H,2,8-10,12-13,15H2,1,3H3
InChIKeyMQEYGMRHTGUTHN-UHFFFAOYSA-N
MW429.57 g/mol
LogP2.77
Rot. Bonds7

About 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

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 (PubChem CID 138664103) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID138664103
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name3-(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
SMILESC=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C3=CN(C)NC3)cnc2n1
InChIInChI=1S/C25H31N7/c1-18(13-31-9-8-20-6-4-5-7-21(20)15-31)10-26-19(2)24-17-32-16-22(11-27-25(32)29-24)23-12-28-30(3)14-23/h4-7,11,14,16-18,26,28H,2,8-10,12-13,15H2,1,3H3
InChIKeyMQEYGMRHTGUTHN-UHFFFAOYSA-N
XLogP2.77
TPSA60.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 138663721
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
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
4-[2-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-methylamino]ethenyl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 138663877
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
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(propan-2-ylamino)pyridine-4-carboxamide;propane
CID 145015056
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 138664084
3-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-5-N-(1-prop-1-en-2-ylpiperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-3,5-diamine
CID 166898022
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 86808675

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(NCC(C)CN1CCc2ccccc2C1)c1cn2cc(C3=CN(C)NC3)cnc2n1.
What is the InChIKey of 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?
The InChIKey is MQEYGMRHTGUTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-18(13-31-9-8-20-6-4-5-7-21(20)15-31)10-26-19(2)24-17-32-16-22(11-27-25(32)29-24)23-12-28-30(3)14-23/h4-7,11,14,16-18,26,28H,2,8-10,12-13,15H2,1,3H3.
What are the key properties of 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?
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 has a molecular weight of 429.57 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138664103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).