5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H18N4O — CID 66836896

IUPAC5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC[C@H]2C[C@@H]2c2ccc3ccccc3n2)nc2cc[nH]n12
InChIInChI=1S/C20H18N4O/c25-20-12-15(22-19-9-10-21-24(19)20)7-5-14-11-16(14)18-8-6-13-3-1-2-4-17(13)23-18/h1-4,6,8-10,12,14,16,21H,5,7,11H2/t14-,16-/m0/s1
InChIKeyOACFCKXIVZPIJK-HOCLYGCPSA-N
MW330.39 g/mol
LogP3.31
Rot. Bonds4

About 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66836896) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66836896
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC[C@H]2C[C@@H]2c2ccc3ccccc3n2)nc2cc[nH]n12
InChIInChI=1S/C20H18N4O/c25-20-12-15(22-19-9-10-21-24(19)20)7-5-14-11-16(14)18-8-6-13-3-1-2-4-17(13)23-18/h1-4,6,8-10,12,14,16,21H,5,7,11H2/t14-,16-/m0/s1
InChIKeyOACFCKXIVZPIJK-HOCLYGCPSA-N
XLogP3.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66836896) is 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CC[C@H]2C[C@@H]2c2ccc3ccccc3n2)nc2cc[nH]n12.
What is the InChIKey of 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OACFCKXIVZPIJK-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-12-15(22-19-9-10-21-24(19)20)7-5-14-11-16(14)18-8-6-13-3-1-2-4-17(13)23-18/h1-4,6,8-10,12,14,16,21H,5,7,11H2/t14-,16-/m0/s1.
What are the key properties of 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 330.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66836896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).