4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C19H23N5O2 — CID 138535788

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(-c2nc3cnccn3c2NC2CCCCC2)c1O
InChIInChI=1S/C19H23N5O2/c1-12-18(26)16(13(11-25)9-21-12)17-19(22-14-5-3-2-4-6-14)24-8-7-20-10-15(24)23-17/h7-10,14,22,25-26H,2-6,11H2,1H3
InChIKeyWNHLGXXFZRESTE-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.04
Rot. Bonds4

About 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 138535788) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID138535788
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(-c2nc3cnccn3c2NC2CCCCC2)c1O
InChIInChI=1S/C19H23N5O2/c1-12-18(26)16(13(11-25)9-21-12)17-19(22-14-5-3-2-4-6-14)24-8-7-20-10-15(24)23-17/h7-10,14,22,25-26H,2-6,11H2,1H3
InChIKeyWNHLGXXFZRESTE-UHFFFAOYSA-N
XLogP3.04
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol with MolForge

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Related Compounds

2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
3-[2-(Hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 46945638
3-(8-Morpholin-4-yl-3-piperazin-1-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 46946050
3-(2-Methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 57394838
1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169074465
2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074467
2-(3-(3,5-difluoro-6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074505
2-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074527
Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074537
1,1,1-trifluoro-2-[3-[6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169429063

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 138535788) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(-c2nc3cnccn3c2NC2CCCCC2)c1O.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is WNHLGXXFZRESTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-18(26)16(13(11-25)9-21-12)17-19(22-14-5-3-2-4-6-14)24-8-7-20-10-15(24)23-17/h7-10,14,22,25-26H,2-6,11H2,1H3.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 353.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 138535788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).