(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol

C19H23N5O2 — CID 59992440

IUPAC(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
SMILESCc1ccc([C@@H](O)COC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C19H23N5O2/c1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t14-,15?,17-/m0/s1
InChIKeyAUHHGCICIWBBFY-AYWPPYMVSA-N
MW353.43 g/mol
LogP2.74
Rot. Bonds6

About (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol

(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol (PubChem CID 59992440) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
PubChem CID59992440
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
SMILESCc1ccc([C@@H](O)COC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C19H23N5O2/c1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t14-,15?,17-/m0/s1
InChIKeyAUHHGCICIWBBFY-AYWPPYMVSA-N
XLogP2.74
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The IUPAC name of (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol (CID 59992440) is (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The canonical SMILES for (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol is Cc1ccc([C@@H](O)COC2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
The InChIKey is AUHHGCICIWBBFY-AYWPPYMVSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-2-4-13(5-3-12)17(25)10-26-15-7-6-14(8-15)23-18-16-9-22-24-19(16)21-11-20-18/h2-5,9,11,14-15,17,25H,6-8,10H2,1H3,(H2,20,21,22,23,24)/t14-,15?,17-/m0/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol?
(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol has a molecular weight of 353.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol is sourced from PubChem (CID 59992440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).