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

C22H24N8O — CID 175850084

IUPAC1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
SMILESCCn1cc2ncc(N[C@@H](C)c3cccc(NC(=O)c4cnn(C5CC5)c4)c3)nc2n1
InChIInChI=1S/C22H24N8O/c1-3-29-13-19-21(28-29)27-20(11-23-19)25-14(2)15-5-4-6-17(9-15)26-22(31)16-10-24-30(12-16)18-7-8-18/h4-6,9-14,18H,3,7-8H2,1-2H3,(H,26,31)(H,25,27,28)/t14-/m0/s1
InChIKeyQOVILLRHFFZYHQ-AWEZNQCLSA-N
MW416.49 g/mol
LogP3.80
Rot. Bonds7

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

1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 175850084) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
PubChem CID175850084
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
SMILESCCn1cc2ncc(N[C@@H](C)c3cccc(NC(=O)c4cnn(C5CC5)c4)c3)nc2n1
InChIInChI=1S/C22H24N8O/c1-3-29-13-19-21(28-29)27-20(11-23-19)25-14(2)15-5-4-6-17(9-15)26-22(31)16-10-24-30(12-16)18-7-8-18/h4-6,9-14,18H,3,7-8H2,1-2H3,(H,26,31)(H,25,27,28)/t14-/m0/s1
InChIKeyQOVILLRHFFZYHQ-AWEZNQCLSA-N
XLogP3.80
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155438884
1-(difluoromethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850106
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155437888
5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155437884
4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
CID 175850169
5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 175850087
5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 175850132
N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide
CID 155750017
N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
CID 59331766
3-chloro-N-[3-[1-[(7-ethyl-2,5-diaza-7-azoniabicyclo[4.2.0]octa-1,3,5,7-tetraen-4-yl)amino]ethyl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 155750205
5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171
1-cyclopropyl-N-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138588243

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide (CID 175850084) is 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide is CCn1cc2ncc(N[C@@H](C)c3cccc(NC(=O)c4cnn(C5CC5)c4)c3)nc2n1.
What is the InChIKey of 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is QOVILLRHFFZYHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N8O/c1-3-29-13-19-21(28-29)27-20(11-23-19)25-14(2)15-5-4-6-17(9-15)26-22(31)16-10-24-30(12-16)18-7-8-18/h4-6,9-14,18H,3,7-8H2,1-2H3,(H,26,31)(H,25,27,28)/t14-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide?
1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175850084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).