(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol

C12H16N4O2 — CID 70902335

IUPAC(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol
SMILESCC1C[C@@H](n2cnc3c(N)nccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N4O2/c1-6-4-8(11(18)10(6)17)16-5-15-9-7(16)2-3-14-12(9)13/h2-3,5-6,8,10-11,17-18H,4H2,1H3,(H2,13,14)/t6?,8-,10-,11+/m1/s1
InChIKeyORUREXCBCPRFQK-GAWWMAGJSA-N
MW248.29 g/mol
LogP0.32
Rot. Bonds1

About (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol

(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol (PubChem CID 70902335) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol
PubChem CID70902335
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol
SMILESCC1C[C@@H](n2cnc3c(N)nccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N4O2/c1-6-4-8(11(18)10(6)17)16-5-15-9-7(16)2-3-14-12(9)13/h2-3,5-6,8,10-11,17-18H,4H2,1H3,(H2,13,14)/t6?,8-,10-,11+/m1/s1
InChIKeyORUREXCBCPRFQK-GAWWMAGJSA-N
XLogP0.32
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol with MolForge

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Related Compounds

(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
(2R,3S,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92852183
[(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate
CID 158778735
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 21157929
1-[(3aS,4R,6S,6aR)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,7-difluoroimidazo[4,5-c]pyridine;3-[(3aS,4R,6S,6aR)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,7-difluoroimidazo[4,5-c]pyridine;(1R,2S,3R,5S)-3-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol;methane;dihydrochloride
CID 159913278
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
cis-(1S,3R)-3-[2-chloro-6-(dicyclopropylmethylamino)purin-9-yl]-5-methylcyclopentane-1,2-diol
CID 166570779
4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 134214830
2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
CID 46876643
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
CID 23260475
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-[(E)-2-fluoroethenyl]cyclopentane-1,2-diol
CID 10660300

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol (CID 70902335) is (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol is CC1C[C@@H](n2cnc3c(N)nccc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol?
The InChIKey is ORUREXCBCPRFQK-GAWWMAGJSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-6-4-8(11(18)10(6)17)16-5-15-9-7(16)2-3-14-12(9)13/h2-3,5-6,8,10-11,17-18H,4H2,1H3,(H2,13,14)/t6?,8-,10-,11+/m1/s1.
What are the key properties of (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol?
(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol has a molecular weight of 248.29 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 70902335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).