5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

C27H23FN8O — CID 136937453

IUPAC5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NC(C)C)c6)cc45)[nH]c23)c1
InChIInChI=1S/C27H23FN8O/c1-14(2)32-18-7-16(11-29-12-18)22-10-21-23(13-31-22)35-36-25(21)27-33-24-20(4-5-30-26(24)34-27)15-6-17(28)9-19(8-15)37-3/h4-14,32H,1-3H3,(H,35,36)(H,30,33,34)
InChIKeyZMGVVHBCFLOQAR-UHFFFAOYSA-N
MW494.53 g/mol
LogP5.59
Rot. Bonds6

About 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 136937453) has the molecular formula C27H23FN8O and a molecular weight of 494.53 g/mol. Its IUPAC name is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID136937453
Molecular FormulaC27H23FN8O
Molecular Weight494.53 g/mol
Exact Mass494.20
IUPAC Name5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NC(C)C)c6)cc45)[nH]c23)c1
InChIInChI=1S/C27H23FN8O/c1-14(2)32-18-7-16(11-29-12-18)22-10-21-23(13-31-22)35-36-25(21)27-33-24-20(4-5-30-26(24)34-27)15-6-17(28)9-19(8-15)37-3/h4-14,32H,1-3H3,(H,35,36)(H,30,33,34)
InChIKeyZMGVVHBCFLOQAR-UHFFFAOYSA-N
XLogP5.59
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 136937453) is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NC(C)C)c6)cc45)[nH]c23)c1.
What is the InChIKey of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is ZMGVVHBCFLOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O/c1-14(2)32-18-7-16(11-29-12-18)22-10-21-23(13-31-22)35-36-25(21)27-33-24-20(4-5-30-26(24)34-27)15-6-17(28)9-19(8-15)37-3/h4-14,32H,1-3H3,(H,35,36)(H,30,33,34).
What are the key properties of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 494.53 g/mol, XLogP of 5.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 136937453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).