(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C18H13ClFN7O — CID 66846336

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CCn2cc(-c3ccc(F)nc3)nc2C1
InChIInChI=1S/C18H13ClFN7O/c19-12-7-22-16-5-13(24-27(16)8-12)18(28)26-4-3-25-9-14(23-17(25)10-26)11-1-2-15(20)21-6-11/h1-2,5-9H,3-4,10H2
InChIKeyDAJIXVMGYDOHNV-UHFFFAOYSA-N
MW397.80 g/mol
LogP2.44
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 66846336) has the molecular formula C18H13ClFN7O and a molecular weight of 397.80 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID66846336
Molecular FormulaC18H13ClFN7O
Molecular Weight397.80 g/mol
Exact Mass397.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CCn2cc(-c3ccc(F)nc3)nc2C1
InChIInChI=1S/C18H13ClFN7O/c19-12-7-22-16-5-13(24-27(16)8-12)18(28)26-4-3-25-9-14(23-17(25)10-26)11-1-2-15(20)21-6-11/h1-2,5-9H,3-4,10H2
InChIKeyDAJIXVMGYDOHNV-UHFFFAOYSA-N
XLogP2.44
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66846634
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 67300824
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24899241
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 59663077
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846429
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24811930
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660657
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-ethyl-7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810470
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811617
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[5-(2-fluoro-4-pyridinyl)-1-methyl-3,4-dihydrocinnolin-2-yl]methanone
CID 66846584
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 68797509
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 66846336) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CCn2cc(-c3ccc(F)nc3)nc2C1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is DAJIXVMGYDOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN7O/c19-12-7-22-16-5-13(24-27(16)8-12)18(28)26-4-3-25-9-14(23-17(25)10-26)11-1-2-15(20)21-6-11/h1-2,5-9H,3-4,10H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 397.80 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66846336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).