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

C19H22N6O — CID 67294536

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
SMILESNc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12
InChIInChI=1S/C19H22N6O/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/t12?,13-,14+
InChIKeyMLNNBJCIZXCHKW-AGUYFDCRSA-N
MW350.43 g/mol
LogP1.86
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

[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol (PubChem CID 67294536) has the molecular formula C19H22N6O and a molecular weight of 350.43 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.

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
PubChem CID67294536
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
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
SMILESNc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12
InChIInChI=1S/C19H22N6O/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/t12?,13-,14+
InChIKeyMLNNBJCIZXCHKW-AGUYFDCRSA-N
XLogP1.86
TPSA101.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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?
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 (CID 67294536) 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.
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?
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 is 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?
The InChIKey is MLNNBJCIZXCHKW-AGUYFDCRSA-N. The full InChI is InChI=1S/C19H22N6O/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/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?
[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol has a molecular weight of 350.43 g/mol, XLogP of 1.86, 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 is sourced from PubChem (CID 67294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).