[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol

C20H22N4O — CID 166380412

IUPAC[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2Nc1cc(-c2ccccc2)nc2ccnn12
InChIInChI=1S/C20H22N4O/c25-12-16-9-15-8-14(16)10-17(15)23-20-11-18(13-4-2-1-3-5-13)22-19-6-7-21-24(19)20/h1-7,11,14-17,23,25H,8-10,12H2/t14-,15-,16+,17-/m1/s1
InChIKeyTWWKWIODKYXSSG-WCXIOVBPSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds4

About [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol

[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 166380412) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID166380412
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2Nc1cc(-c2ccccc2)nc2ccnn12
InChIInChI=1S/C20H22N4O/c25-12-16-9-15-8-14(16)10-17(15)23-20-11-18(13-4-2-1-3-5-13)22-19-6-7-21-24(19)20/h1-7,11,14-17,23,25H,8-10,12H2/t14-,15-,16+,17-/m1/s1
InChIKeyTWWKWIODKYXSSG-WCXIOVBPSA-N
XLogP3.22
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol (CID 166380412) is [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol is OC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2Nc1cc(-c2ccccc2)nc2ccnn12.
What is the InChIKey of [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is TWWKWIODKYXSSG-WCXIOVBPSA-N. The full InChI is InChI=1S/C20H22N4O/c25-12-16-9-15-8-14(16)10-17(15)23-20-11-18(13-4-2-1-3-5-13)22-19-6-7-21-24(19)20/h1-7,11,14-17,23,25H,8-10,12H2/t14-,15-,16+,17-/m1/s1.
What are the key properties of [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol?
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 166380412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).