(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

C19H21FN4O — CID 99972948

IUPAC(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCN(c1cc(C)nc3ccc(F)cc13)C2
InChIInChI=1S/C19H21FN4O/c1-3-19(25)17-10-14-11-23(6-7-24(14)22-17)18-8-12(2)21-16-5-4-13(20)9-15(16)18/h4-5,8-10,19,25H,3,6-7,11H2,1-2H3/t19-/m0/s1
InChIKeyKDYNTYISJDNVPI-IBGZPJMESA-N
MW340.40 g/mol
LogP3.34
Rot. Bonds3

About (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (PubChem CID 99972948) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
PubChem CID99972948
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCN(c1cc(C)nc3ccc(F)cc13)C2
InChIInChI=1S/C19H21FN4O/c1-3-19(25)17-10-14-11-23(6-7-24(14)22-17)18-8-12(2)21-16-5-4-13(20)9-15(16)18/h4-5,8-10,19,25H,3,6-7,11H2,1-2H3/t19-/m0/s1
InChIKeyKDYNTYISJDNVPI-IBGZPJMESA-N
XLogP3.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (CID 99972948) is (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is CC[C@H](O)c1cc2n(n1)CCN(c1cc(C)nc3ccc(F)cc13)C2.
What is the InChIKey of (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The InChIKey is KDYNTYISJDNVPI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN4O/c1-3-19(25)17-10-14-11-23(6-7-24(14)22-17)18-8-12(2)21-16-5-4-13(20)9-15(16)18/h4-5,8-10,19,25H,3,6-7,11H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol has a molecular weight of 340.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 99972948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).