6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

C17H22N6O — CID 136554612

IUPAC6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)N3CCn4nccc4C3)n2)CC1
InChIInChI=1S/C17H22N6O/c1-20-7-9-21(10-8-20)16-4-2-3-15(19-16)17(24)22-11-12-23-14(13-22)5-6-18-23/h2-6H,7-13H2,1H3
InChIKeyBYHCHSDSKWFJBL-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.69
Rot. Bonds2

About 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 136554612) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID136554612
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)N3CCn4nccc4C3)n2)CC1
InChIInChI=1S/C17H22N6O/c1-20-7-9-21(10-8-20)16-4-2-3-15(19-16)17(24)22-11-12-23-14(13-22)5-6-18-23/h2-6H,7-13H2,1H3
InChIKeyBYHCHSDSKWFJBL-UHFFFAOYSA-N
XLogP0.69
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 166259892
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 119101443
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (CID 136554612) is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is CN1CCN(c2cccc(C(=O)N3CCn4nccc4C3)n2)CC1.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is BYHCHSDSKWFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-20-7-9-21(10-8-20)16-4-2-3-15(19-16)17(24)22-11-12-23-14(13-22)5-6-18-23/h2-6H,7-13H2,1H3.
What are the key properties of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 136554612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).