(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

C14H14ClN5O — CID 38006229

IUPAC(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCn1ncc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C14H14ClN5O/c1-20-14-11(6-19-20)13(17-8-18-14)16-7-12(21)9-2-4-10(15)5-3-9/h2-6,8,12,21H,7H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyPNQLSVYOYQOGOW-GFCCVEGCSA-N
MW303.75 g/mol
LogP2.16
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 38006229) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID38006229
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCn1ncc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C14H14ClN5O/c1-20-14-11(6-19-20)13(17-8-18-14)16-7-12(21)9-2-4-10(15)5-3-9/h2-6,8,12,21H,7H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyPNQLSVYOYQOGOW-GFCCVEGCSA-N
XLogP2.16
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 111421559
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110430705
6-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993692
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25344777
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
(1R)-N,N-dimethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 34004018

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (CID 38006229) is (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is Cn1ncc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is PNQLSVYOYQOGOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-20-14-11(6-19-20)13(17-8-18-14)16-7-12(21)9-2-4-10(15)5-3-9/h2-6,8,12,21H,7H2,1H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 303.75 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 38006229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).