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

C22H32N6O4 — CID 145264676

IUPACmethyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
SMILESCNCc1ccc(C2C=C3C(=O)N(CNC(=O)OC)CC(C)N3N2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C22H32N6O4/c1-13(2)20(29)25-17-8-15(10-23-4)6-7-16(17)18-9-19-21(30)27(12-24-22(31)32-5)11-14(3)28(19)26-18/h6-9,13-14,18,23,26H,10-12H2,1-5H3,(H,24,31)(H,25,29)
InChIKeyJLFGWRLKCPRXCD-UHFFFAOYSA-N
MW444.54 g/mol
LogP1.29
Rot. Bonds7

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

methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (PubChem CID 145264676) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
PubChem CID145264676
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Namemethyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
SMILESCNCc1ccc(C2C=C3C(=O)N(CNC(=O)OC)CC(C)N3N2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C22H32N6O4/c1-13(2)20(29)25-17-8-15(10-23-4)6-7-16(17)18-9-19-21(30)27(12-24-22(31)32-5)11-14(3)28(19)26-18/h6-9,13-14,18,23,26H,10-12H2,1-5H3,(H,24,31)(H,25,29)
InChIKeyJLFGWRLKCPRXCD-UHFFFAOYSA-N
XLogP1.29
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate with MolForge

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Related Compounds

ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
CID 145264675
ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide
CID 145264653
N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine
CID 117203766
N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
CID 2203693
methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
CID 144683165
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 95263169
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389

Frequently Asked Questions

What is the IUPAC name of methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (CID 145264676) is methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is CNCc1ccc(C2C=C3C(=O)N(CNC(=O)OC)CC(C)N3N2)c(NC(=O)C(C)C)c1.
What is the InChIKey of methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
The InChIKey is JLFGWRLKCPRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-13(2)20(29)25-17-8-15(10-23-4)6-7-16(17)18-9-19-21(30)27(12-24-22(31)32-5)11-14(3)28(19)26-18/h6-9,13-14,18,23,26H,10-12H2,1-5H3,(H,24,31)(H,25,29).
What are the key properties of methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?
methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate has a molecular weight of 444.54 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is sourced from PubChem (CID 145264676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).