N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C28H20FN7O — CID 137039746

IUPACN-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C28H20FN7O/c29-23-4-2-1-3-19(23)22-13-31-14-25-20(22)9-24(34-25)26-21-8-17(11-32-27(21)36-35-26)16-7-18(12-30-10-16)33-28(37)15-5-6-15/h1-4,7-15,34H,5-6H2,(H,33,37)(H,32,35,36)
InChIKeyZJMULPMURRDTSB-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.72
Rot. Bonds5

About N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137039746) has the molecular formula C28H20FN7O and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID137039746
Molecular FormulaC28H20FN7O
Molecular Weight489.51 g/mol
Exact Mass489.17
IUPAC NameN-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C28H20FN7O/c29-23-4-2-1-3-19(23)22-13-31-14-25-20(22)9-24(34-25)26-21-8-17(11-32-27(21)36-35-26)16-7-18(12-30-10-16)33-28(37)15-5-6-15/h1-4,7-15,34H,5-6H2,(H,33,37)(H,32,35,36)
InChIKeyZJMULPMURRDTSB-UHFFFAOYSA-N
XLogP5.72
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137039746) is N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1)C1CC1.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZJMULPMURRDTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN7O/c29-23-4-2-1-3-19(23)22-13-31-14-25-20(22)9-24(34-25)26-21-8-17(11-32-27(21)36-35-26)16-7-18(12-30-10-16)33-28(37)15-5-6-15/h1-4,7-15,34H,5-6H2,(H,33,37)(H,32,35,36).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137039746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).