[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol

C16H21N7O — CID 24821482

IUPAC[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CCCN[C@H]4CO)nc23)cn1
InChIInChI=1S/C16H21N7O/c1-22-8-10(6-19-22)12-7-20-23-15(17)5-13(21-16(12)23)11-3-2-4-18-14(11)9-24/h5-8,11,14,18,24H,2-4,9,17H2,1H3/t11-,14+/m1/s1
InChIKeyNYQYGPATTIYQIR-RISCZKNCSA-N
MW327.39 g/mol
LogP0.54
Rot. Bonds3

About [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol

[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol (PubChem CID 24821482) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
PubChem CID24821482
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CCCN[C@H]4CO)nc23)cn1
InChIInChI=1S/C16H21N7O/c1-22-8-10(6-19-22)12-7-20-23-15(17)5-13(21-16(12)23)11-3-2-4-18-14(11)9-24/h5-8,11,14,18,24H,2-4,9,17H2,1H3/t11-,14+/m1/s1
InChIKeyNYQYGPATTIYQIR-RISCZKNCSA-N
XLogP0.54
TPSA106.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol (CID 24821482) is [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol is Cn1cc(-c2cnn3c(N)cc([C@H]4CCCN[C@H]4CO)nc23)cn1.
What is the InChIKey of [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
The InChIKey is NYQYGPATTIYQIR-RISCZKNCSA-N. The full InChI is InChI=1S/C16H21N7O/c1-22-8-10(6-19-22)12-7-20-23-15(17)5-13(21-16(12)23)11-3-2-4-18-14(11)9-24/h5-8,11,14,18,24H,2-4,9,17H2,1H3/t11-,14+/m1/s1.
What are the key properties of [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol?
[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol has a molecular weight of 327.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 24821482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).