5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H24N6O2 — CID 154567222

IUPAC5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(N2CCCN(C(=O)c3cc4n(n3)CCN(C)C4=O)CC2)ccn1
InChIInChI=1S/C19H24N6O2/c1-14-12-15(4-5-20-14)23-6-3-7-24(10-9-23)18(26)16-13-17-19(27)22(2)8-11-25(17)21-16/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyQDTUDPAUSUJNDM-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.02
Rot. Bonds2

About 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 154567222) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID154567222
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(N2CCCN(C(=O)c3cc4n(n3)CCN(C)C4=O)CC2)ccn1
InChIInChI=1S/C19H24N6O2/c1-14-12-15(4-5-20-14)23-6-3-7-24(10-9-23)18(26)16-13-17-19(27)22(2)8-11-25(17)21-16/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyQDTUDPAUSUJNDM-UHFFFAOYSA-N
XLogP1.02
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332
5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044273
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70725845
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052
[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 91775347
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 154567222) is 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(N2CCCN(C(=O)c3cc4n(n3)CCN(C)C4=O)CC2)ccn1.
What is the InChIKey of 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QDTUDPAUSUJNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-12-15(4-5-20-14)23-6-3-7-24(10-9-23)18(26)16-13-17-19(27)22(2)8-11-25(17)21-16/h4-5,12-13H,3,6-11H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.44 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 154567222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).