N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide

C27H20FN7O2 — CID 138627289

IUPACN-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)ccnc5[nH]4)c3c2)ccn1
InChIInChI=1S/C27H20FN7O2/c1-2-24(37)33-23-10-14(3-5-29-23)16-9-21-25(34-35-27(21)31-13-16)22-12-20-19(4-6-30-26(20)32-22)15-7-17(28)11-18(36)8-15/h3-13,36H,2H2,1H3,(H,30,32)(H,29,33,37)(H,31,34,35)
InChIKeyDGIKOKOLJIMRJY-UHFFFAOYSA-N
MW493.50 g/mol
LogP5.42
Rot. Bonds5

About N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide

N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide (PubChem CID 138627289) has the molecular formula C27H20FN7O2 and a molecular weight of 493.50 g/mol. Its IUPAC name is N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide
PubChem CID138627289
Molecular FormulaC27H20FN7O2
Molecular Weight493.50 g/mol
Exact Mass493.17
IUPAC NameN-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)ccnc5[nH]4)c3c2)ccn1
InChIInChI=1S/C27H20FN7O2/c1-2-24(37)33-23-10-14(3-5-29-23)16-9-21-25(34-35-27(21)31-13-16)22-12-20-19(4-6-30-26(20)32-22)15-7-17(28)11-18(36)8-15/h3-13,36H,2H2,1H3,(H,30,32)(H,29,33,37)(H,31,34,35)
InChIKeyDGIKOKOLJIMRJY-UHFFFAOYSA-N
XLogP5.42
TPSA132.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.50
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide (CID 138627289) is N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)ccnc5[nH]4)c3c2)ccn1.
What is the InChIKey of N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide?
The InChIKey is DGIKOKOLJIMRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7O2/c1-2-24(37)33-23-10-14(3-5-29-23)16-9-21-25(34-35-27(21)31-13-16)22-12-20-19(4-6-30-26(20)32-22)15-7-17(28)11-18(36)8-15/h3-13,36H,2H2,1H3,(H,30,32)(H,29,33,37)(H,31,34,35).
What are the key properties of N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide?
N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide has a molecular weight of 493.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 138627289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).