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]propanamide

C24H17FN8O2 — CID 136945345

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]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C24H17FN8O2/c1-2-17(34)29-14-7-13(8-26-9-14)15-10-28-23-18(19(15)25)22(32-33-23)24-30-16-3-5-27-20(21(16)31-24)12-4-6-35-11-12/h3-11H,2H2,1H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyLHOBGHZUEIDPAE-UHFFFAOYSA-N
MW468.45 g/mol
LogP4.71
Rot. Bonds5

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]propanamide

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]propanamide (PubChem CID 136945345) has the molecular formula C24H17FN8O2 and a molecular weight of 468.45 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]propanamide.

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]propanamide
PubChem CID136945345
Molecular FormulaC24H17FN8O2
Molecular Weight468.45 g/mol
Exact Mass468.15
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]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C24H17FN8O2/c1-2-17(34)29-14-7-13(8-26-9-14)15-10-28-23-18(19(15)25)22(32-33-23)24-30-16-3-5-27-20(21(16)31-24)12-4-6-35-11-12/h3-11H,2H2,1H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyLHOBGHZUEIDPAE-UHFFFAOYSA-N
XLogP4.71
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]propanamide?
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]propanamide (CID 136945345) 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]propanamide.
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]propanamide?
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]propanamide is CCC(=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]propanamide?
The InChIKey is LHOBGHZUEIDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN8O2/c1-2-17(34)29-14-7-13(8-26-9-14)15-10-28-23-18(19(15)25)22(32-33-23)24-30-16-3-5-27-20(21(16)31-24)12-4-6-35-11-12/h3-11H,2H2,1H3,(H,29,34)(H,30,31)(H,28,32,33).
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]propanamide?
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]propanamide has a molecular weight of 468.45 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-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136945345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).