methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate

C20H25N5O4 — CID 145264797

IUPACmethyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate
SMILESCCC(=O)NCN1CC(C)n2nc(-c3ccc(C)cc3NC(=O)OC)cc2C1=O
InChIInChI=1S/C20H25N5O4/c1-5-18(26)21-11-24-10-13(3)25-17(19(24)27)9-16(23-25)14-7-6-12(2)8-15(14)22-20(28)29-4/h6-9,13H,5,10-11H2,1-4H3,(H,21,26)(H,22,28)
InChIKeyPEUFSQPBYASBND-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.54
Rot. Bonds5

About methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate

methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate (PubChem CID 145264797) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate
PubChem CID145264797
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Namemethyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate
SMILESCCC(=O)NCN1CC(C)n2nc(-c3ccc(C)cc3NC(=O)OC)cc2C1=O
InChIInChI=1S/C20H25N5O4/c1-5-18(26)21-11-24-10-13(3)25-17(19(24)27)9-16(23-25)14-7-6-12(2)8-15(14)22-20(28)29-4/h6-9,13H,5,10-11H2,1-4H3,(H,21,26)(H,22,28)
InChIKeyPEUFSQPBYASBND-UHFFFAOYSA-N
XLogP2.54
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(7S)-5-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-3,3,3-trifluoropropanamide
CID 144910447
N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
CID 145264661
methyl N-[5-chloro-2-[1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]carbamate
CID 129198225
N-[2-[7-butyl-5-[[4-(methyliminomethyl)phenyl]methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-chlorophenyl]acetamide
CID 137444040
methyl N-[5-chloro-2-[2-methyl-1-[2-[(3-methyloxetan-3-yl)amino]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]carbamate
CID 137426091
methyl N-[5-chloro-2-[1-[2-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]amino]-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]carbamate
CID 160875298
methyl N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)methylamino]ethyl]pyrimidin-4-yl]phenyl]carbamate
CID 137426191
N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
CID 51364938
4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
CID 144910112
N-(2,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151967
(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
CID 103538537
[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540317

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate?
The IUPAC name of methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate (CID 145264797) is methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate is CCC(=O)NCN1CC(C)n2nc(-c3ccc(C)cc3NC(=O)OC)cc2C1=O.
What is the InChIKey of methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate?
The InChIKey is PEUFSQPBYASBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-5-18(26)21-11-24-10-13(3)25-17(19(24)27)9-16(23-25)14-7-6-12(2)8-15(14)22-20(28)29-4/h6-9,13H,5,10-11H2,1-4H3,(H,21,26)(H,22,28).
What are the key properties of methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate?
methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate has a molecular weight of 399.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate is sourced from PubChem (CID 145264797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).