N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C25H17FN8O2 — CID 137056590

IUPACN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CC1
InChIInChI=1S/C25H17FN8O2/c26-19-17(14-7-15(9-27-8-14)30-25(35)12-1-2-12)10-29-22-18(19)21(33-34-22)24-31-20-16(13-4-6-36-11-13)3-5-28-23(20)32-24/h3-12H,1-2H2,(H,30,35)(H,28,31,32)(H,29,33,34)
InChIKeyTXLKFIXKAALJSN-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.71
Rot. Bonds5

About N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137056590) has the molecular formula C25H17FN8O2 and a molecular weight of 480.46 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID137056590
Molecular FormulaC25H17FN8O2
Molecular Weight480.46 g/mol
Exact Mass480.15
IUPAC NameN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CC1
InChIInChI=1S/C25H17FN8O2/c26-19-17(14-7-15(9-27-8-14)30-25(35)12-1-2-12)10-29-22-18(19)21(33-34-22)24-31-20-16(13-4-6-36-11-13)3-5-28-23(20)32-24/h3-12H,1-2H2,(H,30,35)(H,28,31,32)(H,29,33,34)
InChIKeyTXLKFIXKAALJSN-UHFFFAOYSA-N
XLogP4.71
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137056590) is N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CC1.
What is the InChIKey of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is TXLKFIXKAALJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8O2/c26-19-17(14-7-15(9-27-8-14)30-25(35)12-1-2-12)10-29-22-18(19)21(33-34-22)24-31-20-16(13-4-6-36-11-13)3-5-28-23(20)32-24/h3-12H,1-2H2,(H,30,35)(H,28,31,32)(H,29,33,34).
What are the key properties of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 480.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137056590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).