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

C25H21N9 — CID 136946481

IUPACN,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H21N9/c1-34(2)14-15-7-17(10-27-9-15)20-8-18-21(13-29-20)32-33-24(18)25-30-22-12-28-11-19(23(22)31-25)16-3-5-26-6-4-16/h3-13H,14H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyAVEUBPCPCZYWIC-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.08
Rot. Bonds5

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

N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 136946481) has the molecular formula C25H21N9 and a molecular weight of 447.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID136946481
Molecular FormulaC25H21N9
Molecular Weight447.51 g/mol
Exact Mass447.19
IUPAC NameN,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H21N9/c1-34(2)14-15-7-17(10-27-9-15)20-8-18-21(13-29-20)32-33-24(18)25-30-22-12-28-11-19(23(22)31-25)16-3-5-26-6-4-16/h3-13H,14H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyAVEUBPCPCZYWIC-UHFFFAOYSA-N
XLogP4.08
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
N,N-dimethyl-1-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946674
1-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136947565
N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137057382
N,N-dimethyl-1-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137055080
1-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055616
N-[[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137143079
N-pent-1-en-2-yl-5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145037475
N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137110353
N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 136947188
N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 136946447
1-[5-[4-fluoro-3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136946735

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (CID 136946481) is N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is AVEUBPCPCZYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N9/c1-34(2)14-15-7-17(10-27-9-15)20-8-18-21(13-29-20)32-33-24(18)25-30-22-12-28-11-19(23(22)31-25)16-3-5-26-6-4-16/h3-13H,14H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 447.51 g/mol, XLogP of 4.08, 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-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 136946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).