N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C21H20F2N6O2 — CID 155815444

IUPACN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1Cc2cn(CC3COC3)nc2C1
InChIInChI=1S/C21H20F2N6O2/c22-14-1-2-15(16(23)5-14)18-4-3-17(24)20(25-18)26-21(30)28-7-13-8-29(27-19(13)9-28)6-12-10-31-11-12/h1-5,8,12H,6-7,9-11,24H2,(H,25,26,30)
InChIKeyZJJJDGZSWBMDKN-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.00
Rot. Bonds4

About N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 155815444) has the molecular formula C21H20F2N6O2 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID155815444
Molecular FormulaC21H20F2N6O2
Molecular Weight426.43 g/mol
Exact Mass426.16
IUPAC NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1Cc2cn(CC3COC3)nc2C1
InChIInChI=1S/C21H20F2N6O2/c22-14-1-2-15(16(23)5-14)18-4-3-17(24)20(25-18)26-21(30)28-7-13-8-29(27-19(13)9-28)6-12-10-31-11-12/h1-5,8,12H,6-7,9-11,24H2,(H,25,26,30)
InChIKeyZJJJDGZSWBMDKN-UHFFFAOYSA-N
XLogP3.00
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 155815444) is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is Nc1ccc(-c2ccc(F)cc2F)nc1NC(=O)N1Cc2cn(CC3COC3)nc2C1.
What is the InChIKey of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is ZJJJDGZSWBMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O2/c22-14-1-2-15(16(23)5-14)18-4-3-17(24)20(25-18)26-21(30)28-7-13-8-29(27-19(13)9-28)6-12-10-31-11-12/h1-5,8,12H,6-7,9-11,24H2,(H,25,26,30).
What are the key properties of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 155815444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).