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

C20H21FN6O2 — CID 145264689

IUPACN-[[2-[4-cyano-2-(methylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-fluorocyclopropane-1-carboxamide
SMILESCNc1cc(C#N)ccc1-c1cc2n(n1)C(C)CN(CNC(=O)C1CC1F)C2=O
InChIInChI=1S/C20H21FN6O2/c1-11-9-26(10-24-19(28)14-6-15(14)21)20(29)18-7-17(25-27(11)18)13-4-3-12(8-22)5-16(13)23-2/h3-5,7,11,14-15,23H,6,9-10H2,1-2H3,(H,24,28)
InChIKeyQSNIKPPEJJHJHT-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.91
Rot. Bonds5

About 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

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 (PubChem CID 145264689) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[2-[4-cyano-2-(methylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-fluorocyclopropane-1-carboxamide
PubChem CID145264689
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-[[2-[4-cyano-2-(methylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-fluorocyclopropane-1-carboxamide
SMILESCNc1cc(C#N)ccc1-c1cc2n(n1)C(C)CN(CNC(=O)C1CC1F)C2=O
InChIInChI=1S/C20H21FN6O2/c1-11-9-26(10-24-19(28)14-6-15(14)21)20(29)18-7-17(25-27(11)18)13-4-3-12(8-22)5-16(13)23-2/h3-5,7,11,14-15,23H,6,9-10H2,1-2H3,(H,24,28)
InChIKeyQSNIKPPEJJHJHT-UHFFFAOYSA-N
XLogP1.91
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[(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-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate
CID 145264797
4-[[2-[4-chloro-2-(methoxymethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
CID 144910451
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-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
CID 144910141
1-[2-[5-[(4-ethynylphenyl)methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-1,3-dimethylurea
CID 137444105
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
4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
CID 144910112
cis-(1S,2S)-N-[6-(5-cyano-2-methylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 138504677

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(C#N)ccc1-c1cc2n(n1)C(C)CN(CNC(=O)C1CC1F)C2=O.
What is the InChIKey of 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?
The InChIKey is QSNIKPPEJJHJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-11-9-26(10-24-19(28)14-6-15(14)21)20(29)18-7-17(25-27(11)18)13-4-3-12(8-22)5-16(13)23-2/h3-5,7,11,14-15,23H,6,9-10H2,1-2H3,(H,24,28).
What are the key properties of 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?
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 has a molecular weight of 396.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145264689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).