7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol

C22H36N6O — CID 158133500

IUPAC7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCCC1CO.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1
InChIInChI=1S/C9H12N2.C7H11N3.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-9-4-5-10-3-2-8-7(10)6-9;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-3H,4-6H2,1H3;6,8H,2-5H2,1H3
InChIKeyFTBIBOMFMDBWIT-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.47
Rot. Bonds1

About 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol

7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol (PubChem CID 158133500) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol
PubChem CID158133500
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC Name7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCCC1CO.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1
InChIInChI=1S/C9H12N2.C7H11N3.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-9-4-5-10-3-2-8-7(10)6-9;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-3H,4-6H2,1H3;6,8H,2-5H2,1H3
InChIKeyFTBIBOMFMDBWIT-UHFFFAOYSA-N
XLogP1.47
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol
CID 159263857
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-isoquinoline;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-4-methylmorpholin-2-yl]methanol;[(2R)-4-methylmorpholin-2-yl]methanol;[(3S)-4-methylmorpholin-3-yl]methanol;[(3R)-4-methylmorpholin-3-yl]methanol;1-methylpiperazine;1-methylpiperidine;2-methylpyridine;2-methylpyrimidine;[(2S)-1-methylpyrrolidin-2-yl]methanol;[(2R)-1-methylpyrrolidin-2-yl]methanol
CID 158771675
butane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 144770368
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 162793100
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 158516773
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
[1-(1-methylimidazol-2-yl)piperidin-2-yl]methanol
CID 62133846
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol (CID 158133500) is 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol is CN1CCCC1CO.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1.
What is the InChIKey of 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol?
The InChIKey is FTBIBOMFMDBWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C7H11N3.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-9-4-5-10-3-2-8-7(10)6-9;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-3H,4-6H2,1H3;6,8H,2-5H2,1H3.
What are the key properties of 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol?
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol has a molecular weight of 400.57 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 158133500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).