N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

C24H20N8S — CID 137041616

IUPACN,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C24H20N8S/c1-32(2)12-14-9-16(11-25-10-14)18-3-4-19-21(27-18)22(31-30-19)24-28-20-17(15-6-8-33-13-15)5-7-26-23(20)29-24/h3-11,13H,12H2,1-2H3,(H,30,31)(H,26,28,29)
InChIKeyXCXNXJGHOQVXHD-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.75
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137041616) has the molecular formula C24H20N8S and a molecular weight of 452.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID137041616
Molecular FormulaC24H20N8S
Molecular Weight452.55 g/mol
Exact Mass452.15
IUPAC NameN,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C24H20N8S/c1-32(2)12-14-9-16(11-25-10-14)18-3-4-19-21(27-18)22(31-30-19)24-28-20-17(15-6-8-33-13-15)5-7-26-23(20)29-24/h3-11,13H,12H2,1-2H3,(H,30,31)(H,26,28,29)
InChIKeyXCXNXJGHOQVXHD-UHFFFAOYSA-N
XLogP4.75
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine with MolForge

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Related Compounds

1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136937931
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137042039
N-[[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137042029
N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134084
1-[5-[4-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055874
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946616
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137041908
N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137042113
1-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137038490
2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137134087
1-phenyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137014595
N-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137042516

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137041616) is N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is XCXNXJGHOQVXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8S/c1-32(2)12-14-9-16(11-25-10-14)18-3-4-19-21(27-18)22(31-30-19)24-28-20-17(15-6-8-33-13-15)5-7-26-23(20)29-24/h3-11,13H,12H2,1-2H3,(H,30,31)(H,26,28,29).
What are the key properties of N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 452.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137041616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).