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

C26H28N8 — CID 138603206

IUPACN,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
SMILESCN(C)Cc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H28N8/c1-33(2)16-17-10-18(14-27-13-17)21-11-19-23(15-29-21)31-32-25(19)22-12-20-24(6-7-28-26(20)30-22)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyMYNCQIRRCWQBNW-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.62
Rot. Bonds5

About 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

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 (PubChem CID 138603206) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID138603206
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC NameN,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
SMILESCN(C)Cc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H28N8/c1-33(2)16-17-10-18(14-27-13-17)21-11-19-23(15-29-21)31-32-25(19)22-12-20-24(6-7-28-26(20)30-22)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyMYNCQIRRCWQBNW-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-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603218
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 138603240
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111185
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
2-phenyl-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]amino]ethanol
CID 138625707
N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 145037762
2-(dimethylamino)-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138603725
1-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 138603109
N-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137034041
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137311576
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137111591
N-(1-cyclopentylethenyl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145246910

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)Cc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 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?
The InChIKey is MYNCQIRRCWQBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-33(2)16-17-10-18(14-27-13-17)21-11-19-23(15-29-21)31-32-25(19)22-12-20-24(6-7-28-26(20)30-22)34-8-4-3-5-9-34/h6-7,10-15H,3-5,8-9,16H2,1-2H3,(H,28,30)(H,31,32).
What are the key properties of 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?
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 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-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 138603206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).