[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol

C19H24N6O2 — CID 168839253

IUPAC[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
SMILESCOc1ccccc1Cn1cc2nc(N)nc(N[C@H]3CCC[C@H]3CO)c2n1
InChIInChI=1S/C19H24N6O2/c1-27-16-8-3-2-5-12(16)9-25-10-15-17(24-25)18(23-19(20)22-15)21-14-7-4-6-13(14)11-26/h2-3,5,8,10,13-14,26H,4,6-7,9,11H2,1H3,(H3,20,21,22,23)/t13-,14-/m0/s1
InChIKeyZGFXSTFIACTBDH-KBPBESRZSA-N
MW368.44 g/mol
LogP2.04
Rot. Bonds6

About [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol

[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol (PubChem CID 168839253) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
PubChem CID168839253
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
SMILESCOc1ccccc1Cn1cc2nc(N)nc(N[C@H]3CCC[C@H]3CO)c2n1
InChIInChI=1S/C19H24N6O2/c1-27-16-8-3-2-5-12(16)9-25-10-15-17(24-25)18(23-19(20)22-15)21-14-7-4-6-13(14)11-26/h2-3,5,8,10,13-14,26H,4,6-7,9,11H2,1H3,(H3,20,21,22,23)/t13-,14-/m0/s1
InChIKeyZGFXSTFIACTBDH-KBPBESRZSA-N
XLogP2.04
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

cis-(1S,3R)-3-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 168839286
[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
CID 168839098
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
[2-[(3-methoxy-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362135
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol
CID 168839053
7-N-butyl-2-[(4-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839228
2-[4-[2-[4-[[5-amino-7-(butylamino)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]ethyl]phenyl]ethanol
CID 148904741
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839301
5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine
CID 168839093

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol (CID 168839253) is [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol is COc1ccccc1Cn1cc2nc(N)nc(N[C@H]3CCC[C@H]3CO)c2n1.
What is the InChIKey of [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
The InChIKey is ZGFXSTFIACTBDH-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-27-16-8-3-2-5-12(16)9-25-10-15-17(24-25)18(23-19(20)22-15)21-14-7-4-6-13(14)11-26/h2-3,5,8,10,13-14,26H,4,6-7,9,11H2,1H3,(H3,20,21,22,23)/t13-,14-/m0/s1.
What are the key properties of [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol has a molecular weight of 368.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 168839253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).