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

C26H21FN8O2 — CID 136945367

IUPACN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C26H21FN8O2/c1-2-3-4-19(36)31-16-9-15(10-28-11-16)17-12-30-25-20(21(17)27)24(34-35-25)26-32-18-5-7-29-22(23(18)33-26)14-6-8-37-13-14/h5-13H,2-4H2,1H3,(H,31,36)(H,32,33)(H,30,34,35)
InChIKeyNYKKWRVVNNTDRA-UHFFFAOYSA-N
MW496.51 g/mol
LogP5.49
Rot. Bonds7

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

N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 136945367) has the molecular formula C26H21FN8O2 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
PubChem CID136945367
Molecular FormulaC26H21FN8O2
Molecular Weight496.51 g/mol
Exact Mass496.18
IUPAC NameN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C26H21FN8O2/c1-2-3-4-19(36)31-16-9-15(10-28-11-16)17-12-30-25-20(21(17)27)24(34-35-25)26-32-18-5-7-29-22(23(18)33-26)14-6-8-37-13-14/h5-13H,2-4H2,1H3,(H,31,36)(H,32,33)(H,30,34,35)
InChIKeyNYKKWRVVNNTDRA-UHFFFAOYSA-N
XLogP5.49
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 136945367) is N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1.
What is the InChIKey of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is NYKKWRVVNNTDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O2/c1-2-3-4-19(36)31-16-9-15(10-28-11-16)17-12-30-25-20(21(17)27)24(34-35-25)26-32-18-5-7-29-22(23(18)33-26)14-6-8-37-13-14/h5-13H,2-4H2,1H3,(H,31,36)(H,32,33)(H,30,34,35).
What are the key properties of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 496.51 g/mol, XLogP of 5.49, 7 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-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 136945367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).