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

C25H21N7O — CID 137311209

IUPACN-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-2-26-10-15-7-17(12-27-11-15)18-8-20-24(31-32-25(20)29-13-18)22-9-19-21(30-22)3-5-28-23(19)16-4-6-33-14-16/h3-9,11-14,26,30H,2,10H2,1H3,(H,29,31,32)
InChIKeyAZCLQVHOVSDQSI-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.93
Rot. Bonds6

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

N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137311209) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID137311209
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H21N7O/c1-2-26-10-15-7-17(12-27-11-15)18-8-20-24(31-32-25(20)29-13-18)22-9-19-21(30-22)3-5-28-23(19)16-4-6-33-14-16/h3-9,11-14,26,30H,2,10H2,1H3,(H,29,31,32)
InChIKeyAZCLQVHOVSDQSI-UHFFFAOYSA-N
XLogP4.93
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

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
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137311000
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602
N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 145245443
1-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136944967
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137041494
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137145258
5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137310956
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 138604473
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137014579
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136946308
N-[[5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137280509

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137311209) is N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is AZCLQVHOVSDQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-2-26-10-15-7-17(12-27-11-15)18-8-20-24(31-32-25(20)29-13-18)22-9-19-21(30-22)3-5-28-23(19)16-4-6-33-14-16/h3-9,11-14,26,30H,2,10H2,1H3,(H,29,31,32).
What are the key properties of N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 435.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137311209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).