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

C26H24N8 — CID 137102885

IUPACN,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN(C)C)c6)cc45)cc23)cn1
InChIInChI=1S/C26H24N8/c1-16-13-34(15-29-16)25-6-4-5-21-19(25)8-23(30-21)26-20-9-22(28-12-24(20)31-32-26)18-7-17(10-27-11-18)14-33(2)3/h4-13,15,30H,14H2,1-3H3,(H,31,32)
InChIKeyZJGFVTKECMVZKF-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.72
Rot. Bonds5

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

N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137102885) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID137102885
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC NameN,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN(C)C)c6)cc45)cc23)cn1
InChIInChI=1S/C26H24N8/c1-16-13-34(15-29-16)25-6-4-5-21-19(25)8-23(30-21)26-20-9-22(28-12-24(20)31-32-26)18-7-17(10-27-11-18)14-33(2)3/h4-13,15,30H,14H2,1-3H3,(H,31,32)
InChIKeyZJGFVTKECMVZKF-UHFFFAOYSA-N
XLogP4.72
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113326
2-(dimethylamino)-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137369444
N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137113580
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137103221
N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310738
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137033472
N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138603206
3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115955
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-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145247917
3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114763
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138603568

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137102885) is N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-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-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN(C)C)c6)cc45)cc23)cn1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is ZJGFVTKECMVZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-16-13-34(15-29-16)25-6-4-5-21-19(25)8-23(30-21)26-20-9-22(28-12-24(20)31-32-26)18-7-17(10-27-11-18)14-33(2)3/h4-13,15,30H,14H2,1-3H3,(H,31,32).
What are the key properties of N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 448.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137102885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).