[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride

C19H23ClN6O — CID 67294535

IUPAC[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride
SMILESCl.Nc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12
InChIInChI=1S/C19H22N6O.ClH/c20-18-7-17(12-5-13-3-4-14(6-12)23-13)24-19-16(9-22-25(18)19)11-1-2-15(10-26)21-8-11;/h1-2,7-9,12-14,23,26H,3-6,10,20H2;1H/t12?,13-,14+;
InChIKeyCQUICTAJHODRIS-PCMHIUKPSA-N
MW386.89 g/mol
LogP2.29
Rot. Bonds3

About [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride

[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride (PubChem CID 67294535) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride
PubChem CID67294535
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride
SMILESCl.Nc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12
InChIInChI=1S/C19H22N6O.ClH/c20-18-7-17(12-5-13-3-4-14(6-12)23-13)24-19-16(9-22-25(18)19)11-1-2-15(10-26)21-8-11;/h1-2,7-9,12-14,23,26H,3-6,10,20H2;1H/t12?,13-,14+;
InChIKeyCQUICTAJHODRIS-PCMHIUKPSA-N
XLogP2.29
TPSA101.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride?
The IUPAC name of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride (CID 67294535) is [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride.
What is the SMILES notation for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride?
The canonical SMILES for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride is Cl.Nc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12.
What is the InChIKey of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride?
The InChIKey is CQUICTAJHODRIS-PCMHIUKPSA-N. The full InChI is InChI=1S/C19H22N6O.ClH/c20-18-7-17(12-5-13-3-4-14(6-12)23-13)24-19-16(9-22-25(18)19)11-1-2-15(10-26)21-8-11;/h1-2,7-9,12-14,23,26H,3-6,10,20H2;1H/t12?,13-,14+;.
What are the key properties of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride?
[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;hydrochloride is sourced from PubChem (CID 67294535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).