2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C19H17ClFN5O — CID 147256349

IUPAC2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Cc1ccnc(Cl)c1
InChIInChI=1S/C19H17ClFN5O/c1-12-10-26-17(15(9-24-26)16-3-2-14(21)8-23-16)11-25(12)19(27)7-13-4-5-22-18(20)6-13/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyCNRRYEZOEUYJQP-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 147256349) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID147256349
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC Name2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Cc1ccnc(Cl)c1
InChIInChI=1S/C19H17ClFN5O/c1-12-10-26-17(15(9-24-26)16-3-2-14(21)8-23-16)11-25(12)19(27)7-13-4-5-22-18(20)6-13/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyCNRRYEZOEUYJQP-UHFFFAOYSA-N
XLogP3.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 147256349) is 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Cc1ccnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is CNRRYEZOEUYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c1-12-10-26-17(15(9-24-26)16-3-2-14(21)8-23-16)11-25(12)19(27)7-13-4-5-22-18(20)6-13/h2-6,8-9,12H,7,10-11H2,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 385.83 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-1-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 147256349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).