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

C18H22N6O2 — CID 168839098

IUPAC[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1Cn1cc2nc(N)nc(N3CC[C@@H](CO)C3)c2n1
InChIInChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-13(15)9-24-10-14-16(22-24)17(21-18(19)20-14)23-7-6-12(8-23)11-25/h2-5,10,12,25H,6-9,11H2,1H3,(H2,19,20)/t12-/m1/s1
InChIKeyVOKFRHZUPNHZJD-GFCCVEGCSA-N
MW354.41 g/mol
LogP1.28
Rot. Bonds5

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

[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol (PubChem CID 168839098) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
PubChem CID168839098
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1Cn1cc2nc(N)nc(N3CC[C@@H](CO)C3)c2n1
InChIInChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-13(15)9-24-10-14-16(22-24)17(21-18(19)20-14)23-7-6-12(8-23)11-25/h2-5,10,12,25H,6-9,11H2,1H3,(H2,19,20)/t12-/m1/s1
InChIKeyVOKFRHZUPNHZJD-GFCCVEGCSA-N
XLogP1.28
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
CID 168839253
cis-(1S,3R)-3-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 168839286
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 64865830
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839301
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
7-N-(1-aminobutyl)-2-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 146331882
1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol
CID 168839053
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
CID 9311249

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol (CID 168839098) is [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol is COc1ccccc1Cn1cc2nc(N)nc(N3CC[C@@H](CO)C3)c2n1.
What is the InChIKey of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?
The InChIKey is VOKFRHZUPNHZJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-13(15)9-24-10-14-16(22-24)17(21-18(19)20-14)23-7-6-12(8-23)11-25/h2-5,10,12,25H,6-9,11H2,1H3,(H2,19,20)/t12-/m1/s1.
What are the key properties of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?
[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol has a molecular weight of 354.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 168839098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).