ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate

C24H34N6O5 — CID 145264791

IUPACethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
SMILESCC.COC(=O)NCN1CC(C)N2NC(c3ccc(C#N)cc3NC(=O)C(C)(C)OC)C=C2C1=O
InChIInChI=1S/C22H28N6O5.C2H6/c1-13-11-27(12-24-21(31)32-4)19(29)18-9-17(26-28(13)18)15-7-6-14(10-23)8-16(15)25-20(30)22(2,3)33-5;1-2/h6-9,13,17,26H,11-12H2,1-5H3,(H,24,31)(H,25,30);1-2H3
InChIKeyKJXCPTUBUOQPLS-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.24
Rot. Bonds6

About ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate

ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (PubChem CID 145264791) has the molecular formula C24H34N6O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nameethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
PubChem CID145264791
Molecular FormulaC24H34N6O5
Molecular Weight486.57 g/mol
Exact Mass486.26
IUPAC Nameethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
SMILESCC.COC(=O)NCN1CC(C)N2NC(c3ccc(C#N)cc3NC(=O)C(C)(C)OC)C=C2C1=O
InChIInChI=1S/C22H28N6O5.C2H6/c1-13-11-27(12-24-21(31)32-4)19(29)18-9-17(26-28(13)18)15-7-6-14(10-23)8-16(15)25-20(30)22(2,3)33-5;1-2/h6-9,13,17,26H,11-12H2,1-5H3,(H,24,31)(H,25,30);1-2H3
InChIKeyKJXCPTUBUOQPLS-UHFFFAOYSA-N
XLogP2.24
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate with MolForge

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Related Compounds

2-[2-(2-acetamido-4-methylphenyl)-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2-cyanoethyl)-N-methylacetamide;acetylene;ethane
CID 144910245
methyl N-[2-[(7S)-5-[(3-aminopropanoylamino)methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]carbamate
CID 145264701
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
N-[5-cyano-2-[(7S)-7-methyl-4-oxo-5-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]cyclopropanecarboxamide
CID 145264603
N-[[2-[4-cyano-2-(methylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 145264689
tert-butyl (2R,5S)-5-[(6-cyano-3-oxo-1H-isoindol-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 118364243
N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide
CID 145264623
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-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
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
methyl N-(4-cyano-2-ethylphenyl)carbamate
CID 154930446

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The IUPAC name of ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (CID 145264791) is ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.
What is the SMILES notation for ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The canonical SMILES for ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is CC.COC(=O)NCN1CC(C)N2NC(c3ccc(C#N)cc3NC(=O)C(C)(C)OC)C=C2C1=O.
What is the InChIKey of ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The InChIKey is KJXCPTUBUOQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O5.C2H6/c1-13-11-27(12-24-21(31)32-4)19(29)18-9-17(26-28(13)18)15-7-6-14(10-23)8-16(15)25-20(30)22(2,3)33-5;1-2/h6-9,13,17,26H,11-12H2,1-5H3,(H,24,31)(H,25,30);1-2H3.
What are the key properties of ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate has a molecular weight of 486.57 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[[2-[4-cyano-2-[(2-methoxy-2-methylpropanoyl)amino]phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is sourced from PubChem (CID 145264791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).