N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide

C25H24F2N4O2 — CID 148886600

IUPACN-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2n[nH]c3cnc(-c4c(F)cc(CCC(C)C)cc4F)cc23)c1
InChIInChI=1S/C25H24F2N4O2/c1-14(2)7-8-15-9-19(26)23(20(27)10-15)21-12-18-22(13-28-21)30-31-24(18)29-25(32)16-5-4-6-17(11-16)33-3/h4-6,9-14H,7-8H2,1-3H3,(H2,29,30,31,32)
InChIKeyPECFZSTVUPXRLD-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.75
Rot. Bonds7

About N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide

N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide (PubChem CID 148886600) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide
PubChem CID148886600
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC NameN-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2n[nH]c3cnc(-c4c(F)cc(CCC(C)C)cc4F)cc23)c1
InChIInChI=1S/C25H24F2N4O2/c1-14(2)7-8-15-9-19(26)23(20(27)10-15)21-12-18-22(13-28-21)30-31-24(18)29-25(32)16-5-4-6-17(11-16)33-3/h4-6,9-14H,7-8H2,1-3H3,(H2,29,30,31,32)
InChIKeyPECFZSTVUPXRLD-UHFFFAOYSA-N
XLogP5.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
methyl 4-[4-[[5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 134328226
N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide
CID 167146952
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide
CID 70669783
3-(2-amino-1-chloro-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175103815
3-(2-amino-1-bromo-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175096939
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide (CID 148886600) is N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2n[nH]c3cnc(-c4c(F)cc(CCC(C)C)cc4F)cc23)c1.
What is the InChIKey of N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide?
The InChIKey is PECFZSTVUPXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-14(2)7-8-15-9-19(26)23(20(27)10-15)21-12-18-22(13-28-21)30-31-24(18)29-25(32)16-5-4-6-17(11-16)33-3/h4-6,9-14H,7-8H2,1-3H3,(H2,29,30,31,32).
What are the key properties of N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide?
N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide has a molecular weight of 450.49 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 148886600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).