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

C26H28N8 — CID 136643317

IUPACN,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H28N8/c1-33(2)16-17-10-19(13-27-12-17)18-6-7-21-20(11-18)24(32-31-21)26-29-22-14-28-15-23(25(22)30-26)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyBMKKBILBMIPDFR-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.62
Rot. Bonds5

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

N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 136643317) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
PubChem CID136643317
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC NameN,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H28N8/c1-33(2)16-17-10-19(13-27-12-17)18-6-7-21-20(11-18)24(32-31-21)26-29-22-14-28-15-23(25(22)30-26)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyBMKKBILBMIPDFR-UHFFFAOYSA-N
XLogP4.62
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (CID 136643317) is N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is BMKKBILBMIPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-33(2)16-17-10-19(13-27-12-17)18-6-7-21-20(11-18)24(32-31-21)26-29-22-14-28-15-23(25(22)30-26)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 452.57 g/mol, XLogP of 4.62, 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-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 136643317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).