N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide

C27H23N7O2 — CID 137159560

IUPACN-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(CC)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7O2/c1-3-15-7-17(9-19(8-15)30-23(35)4-2)18-10-20-25(33-34-26(20)29-11-18)27-31-22-13-28-12-21(24(22)32-27)16-5-6-36-14-16/h5-14H,3-4H2,1-2H3,(H,30,35)(H,31,32)(H,29,33,34)
InChIKeyWVDRMKXQXOBHDU-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.73
Rot. Bonds6

About N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide

N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide (PubChem CID 137159560) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide
PubChem CID137159560
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC NameN-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(CC)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7O2/c1-3-15-7-17(9-19(8-15)30-23(35)4-2)18-10-20-25(33-34-26(20)29-11-18)27-31-22-13-28-12-21(24(22)32-27)16-5-6-36-14-16/h5-14H,3-4H2,1-2H3,(H,30,35)(H,31,32)(H,29,33,34)
InChIKeyWVDRMKXQXOBHDU-UHFFFAOYSA-N
XLogP5.73
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide with MolForge

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Related Compounds

3-ethyl-N-propan-2-yl-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 137091901
N-[3-ethyl-5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]butanamide
CID 137059210
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137041494
1-[3-ethyl-5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 137098411
3-methyl-N-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137307860
N-[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137056173
1,1-dimethyl-3-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea
CID 137307812
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137040784
N-[[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136507053
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055270
2-(dimethylamino)-N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137040934
N-[5-[3-[4-(3-ethylphenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137155365

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide (CID 137159560) is N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide is CCC(=O)Nc1cc(CC)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide?
The InChIKey is WVDRMKXQXOBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-3-15-7-17(9-19(8-15)30-23(35)4-2)18-10-20-25(33-34-26(20)29-11-18)27-31-22-13-28-12-21(24(22)32-27)16-5-6-36-14-16/h5-14H,3-4H2,1-2H3,(H,30,35)(H,31,32)(H,29,33,34).
What are the key properties of N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide?
N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide has a molecular weight of 477.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide is sourced from PubChem (CID 137159560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).