N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

C22H23N7O — CID 155438884

IUPACN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCCn1cc2ncc(NC(C)c3cccc(NC(=O)c4cncc(C)c4)c3)nc2n1
InChIInChI=1S/C22H23N7O/c1-4-29-13-19-21(28-29)27-20(12-24-19)25-15(3)16-6-5-7-18(9-16)26-22(30)17-8-14(2)10-23-11-17/h5-13,15H,4H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyRRUVERNFYBPWEO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 155438884) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID155438884
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCCn1cc2ncc(NC(C)c3cccc(NC(=O)c4cncc(C)c4)c3)nc2n1
InChIInChI=1S/C22H23N7O/c1-4-29-13-19-21(28-29)27-20(12-24-19)25-15(3)16-6-5-7-18(9-16)26-22(30)17-8-14(2)10-23-11-17/h5-13,15H,4H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyRRUVERNFYBPWEO-UHFFFAOYSA-N
XLogP3.98
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850084
5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155437884
5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356
N-[3-[(1S)-1-[(7-methoxyquinolin-3-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155451451
5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 175850087
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155437888
N-[3-[(1S)-1-[[6-[4-(hydroxyamino)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 136948358
5-methyl-N-[3-[1-[(7-methyl-2-aza-7-azoniabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 155750544
N-[3-[1-[[6-(ethenylamino)-5-methyl-3-pyridinyl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155750025

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (CID 155438884) is N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide is CCn1cc2ncc(NC(C)c3cccc(NC(=O)c4cncc(C)c4)c3)nc2n1.
What is the InChIKey of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is RRUVERNFYBPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-29-13-19-21(28-29)27-20(12-24-19)25-15(3)16-6-5-7-18(9-16)26-22(30)17-8-14(2)10-23-11-17/h5-13,15H,4H2,1-3H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 155438884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).