2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol

C19H25N7O — CID 95871772

IUPAC2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCn1ncc2c(NC[C@H]3CCCN(CCO)C3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H25N7O/c1-25-19-16(12-22-25)18(23-17(24-19)15-4-6-20-7-5-15)21-11-14-3-2-8-26(13-14)9-10-27/h4-7,12,14,27H,2-3,8-11,13H2,1H3,(H,21,23,24)/t14-/m1/s1
InChIKeyOSJPJIXEUUGTOR-CQSZACIVSA-N
MW367.46 g/mol
LogP1.54
Rot. Bonds6

About 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol

2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 95871772) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID95871772
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCn1ncc2c(NC[C@H]3CCCN(CCO)C3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H25N7O/c1-25-19-16(12-22-25)18(23-17(24-19)15-4-6-20-7-5-15)21-11-14-3-2-8-26(13-14)9-10-27/h4-7,12,14,27H,2-3,8-11,13H2,1H3,(H,21,23,24)/t14-/m1/s1
InChIKeyOSJPJIXEUUGTOR-CQSZACIVSA-N
XLogP1.54
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

cyclopropyl-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
CID 95724133
1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95882613
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95867255
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874
1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
2-[3-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanol
CID 67285971

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol (CID 95871772) is 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol is Cn1ncc2c(NC[C@H]3CCCN(CCO)C3)nc(-c3ccncc3)nc21.
What is the InChIKey of 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is OSJPJIXEUUGTOR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N7O/c1-25-19-16(12-22-25)18(23-17(24-19)15-4-6-20-7-5-15)21-11-14-3-2-8-26(13-14)9-10-27/h4-7,12,14,27H,2-3,8-11,13H2,1H3,(H,21,23,24)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 367.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95871772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).