N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C22H19F4N7O — CID 155437888

IUPACN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc2ncc(NC(C)c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3F)nc2n1
InChIInChI=1S/C22H19F4N7O/c1-3-33-11-17-20(32-33)31-19(10-27-17)29-12(2)15-8-14(5-6-16(15)23)30-21(34)13-4-7-18(28-9-13)22(24,25)26/h4-12H,3H2,1-2H3,(H,30,34)(H,29,31,32)
InChIKeyHGPMLPWOGPPXJY-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.82
Rot. Bonds6

About N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155437888) has the molecular formula C22H19F4N7O and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155437888
Molecular FormulaC22H19F4N7O
Molecular Weight473.43 g/mol
Exact Mass473.16
IUPAC NameN-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc2ncc(NC(C)c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3F)nc2n1
InChIInChI=1S/C22H19F4N7O/c1-3-33-11-17-20(32-33)31-19(10-27-17)29-12(2)15-8-14(5-6-16(15)23)30-21(34)13-4-7-18(28-9-13)22(24,25)26/h4-12H,3H2,1-2H3,(H,30,34)(H,29,31,32)
InChIKeyHGPMLPWOGPPXJY-UHFFFAOYSA-N
XLogP4.82
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850084
potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155750661
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 155437888) is N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCn1cc2ncc(NC(C)c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3F)nc2n1.
What is the InChIKey of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HGPMLPWOGPPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N7O/c1-3-33-11-17-20(32-33)31-19(10-27-17)29-12(2)15-8-14(5-6-16(15)23)30-21(34)13-4-7-18(28-9-13)22(24,25)26/h4-12H,3H2,1-2H3,(H,30,34)(H,29,31,32).
What are the key properties of N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.82, 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]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155437888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).