N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C21H23FN6O2 — CID 159879349

IUPACN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCOCCn1cc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)cc3C)ccc1N)C2
InChIInChI=1S/C21H23FN6O2/c1-13-9-15(22)3-4-16(13)18-6-5-17(23)20(24-18)25-21(29)27-10-14-11-28(7-8-30-2)26-19(14)12-27/h3-6,9,11H,7-8,10,12,23H2,1-2H3,(H,24,25,29)
InChIKeyNTIFINRHQGNRBZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.17
Rot. Bonds5

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 159879349) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID159879349
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCOCCn1cc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)cc3C)ccc1N)C2
InChIInChI=1S/C21H23FN6O2/c1-13-9-15(22)3-4-16(13)18-6-5-17(23)20(24-18)25-21(29)27-10-14-11-28(7-8-30-2)26-19(14)12-27/h3-6,9,11H,7-8,10,12,23H2,1-2H3,(H,24,25,29)
InChIKeyNTIFINRHQGNRBZ-UHFFFAOYSA-N
XLogP3.17
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 155815444
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 157484665
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 159511705
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,5-a]pyridin-7-ylmethyl)azetidine-1-carboxamide
CID 159511707
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
CID 149278130
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
CID 147018729
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 163822504
2-(2-methoxyethyl)-N-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-amine
CID 145047611
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
CID 145230400
ethane;2-(2-methoxyethyl)-N-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-amine
CID 145047610
2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-[1-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 161479984
4-fluoro-2-[1-(2-methoxyethyl)pyrazol-4-yl]aniline
CID 171116020

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 159879349) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is COCCn1cc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)cc3C)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is NTIFINRHQGNRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-9-15(22)3-4-16(13)18-6-5-17(23)20(24-18)25-21(29)27-10-14-11-28(7-8-30-2)26-19(14)12-27/h3-6,9,11H,7-8,10,12,23H2,1-2H3,(H,24,25,29).
What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 159879349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).