5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide

C23H25N7O2 — CID 175850087

IUPAC5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCCOCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)c1
InChIInChI=1S/C23H25N7O2/c1-4-32-14-16-8-18(11-24-10-16)23(31)28-19-7-5-6-17(9-19)15(2)27-21-13-25-20-12-26-30(3)22(20)29-21/h5-13,15H,4,14H2,1-3H3,(H,27,29)(H,28,31)/t15-/m0/s1
InChIKeyNSQMNIWEZGFISA-HNNXBMFYSA-N
MW431.50 g/mol
LogP3.72
Rot. Bonds8

About 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide

5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 175850087) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
PubChem CID175850087
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCCOCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)c1
InChIInChI=1S/C23H25N7O2/c1-4-32-14-16-8-18(11-24-10-16)23(31)28-19-7-5-6-17(9-19)15(2)27-21-13-25-20-12-26-30(3)22(20)29-21/h5-13,15H,4,14H2,1-3H3,(H,27,29)(H,28,31)/t15-/m0/s1
InChIKeyNSQMNIWEZGFISA-HNNXBMFYSA-N
XLogP3.72
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
CID 175850169
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
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]phenyl]-5-methylpyridine-3-carboxamide
CID 155438884
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
N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-5-chloropyridine-3-carboxamide
CID 155749909
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850084
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
N-[3-[(1S)-1-[[6-[4-(hydroxyamino)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 136948358

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide (CID 175850087) is 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide is CCOCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)c1.
What is the InChIKey of 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NSQMNIWEZGFISA-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-4-32-14-16-8-18(11-24-10-16)23(31)28-19-7-5-6-17(9-19)15(2)27-21-13-25-20-12-26-30(3)22(20)29-21/h5-13,15H,4,14H2,1-3H3,(H,27,29)(H,28,31)/t15-/m0/s1.
What are the key properties of 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175850087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).