3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

C18H24N6O2 — CID 70727313

IUPAC3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccnc(N2CCn3nc(CCC(=O)N4CCCC4)cc3C2)n1
InChIInChI=1S/C18H24N6O2/c1-26-16-6-7-19-18(20-16)23-10-11-24-15(13-23)12-14(21-24)4-5-17(25)22-8-2-3-9-22/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeyJNOVNEBIQSMTCY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.26
Rot. Bonds5

About 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70727313) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70727313
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccnc(N2CCn3nc(CCC(=O)N4CCCC4)cc3C2)n1
InChIInChI=1S/C18H24N6O2/c1-26-16-6-7-19-18(20-16)23-10-11-24-15(13-23)12-14(21-24)4-5-17(25)22-8-2-3-9-22/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeyJNOVNEBIQSMTCY-UHFFFAOYSA-N
XLogP1.26
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 77088462
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 56798160
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56799033
6-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile
CID 70747169
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70765027
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
3-[5-(6-piperidin-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 70773203
(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
methyl 2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetate
CID 70713889
3-[5-(2-methylpentyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72936468

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 70727313) is 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is COc1ccnc(N2CCn3nc(CCC(=O)N4CCCC4)cc3C2)n1.
What is the InChIKey of 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JNOVNEBIQSMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-16-6-7-19-18(20-16)23-10-11-24-15(13-23)12-14(21-24)4-5-17(25)22-8-2-3-9-22/h6-7,12H,2-5,8-11,13H2,1H3.
What are the key properties of 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70727313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).