N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline

C26H21N7 — CID 137103066

IUPACN,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
SMILESCN(C)c1cccc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-33(2)18-7-5-6-16(12-18)17-13-20-25(31-32-26(20)29-15-17)23-14-19-21(30-23)9-11-28-24(19)22-8-3-4-10-27-22/h3-15,30H,1-2H3,(H,29,31,32)
InChIKeyASNSNMNUVKPNOF-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.30
Rot. Bonds4

About N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline

N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline (PubChem CID 137103066) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
PubChem CID137103066
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC NameN,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
SMILESCN(C)c1cccc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-33(2)18-7-5-6-16(12-18)17-13-20-25(31-32-26(20)29-15-17)23-14-19-21(30-23)9-11-28-24(19)22-8-3-4-10-27-22/h3-15,30H,1-2H3,(H,29,31,32)
InChIKeyASNSNMNUVKPNOF-UHFFFAOYSA-N
XLogP5.30
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline with MolForge

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Related Compounds

N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248413
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248329
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137103064
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088816
3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145167
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145295
3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041341
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040349
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137310996
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137116576

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline (CID 137103066) is N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline is CN(C)c1cccc(-c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline?
The InChIKey is ASNSNMNUVKPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-33(2)18-7-5-6-16(12-18)17-13-20-25(31-32-26(20)29-15-17)23-14-19-21(30-23)9-11-28-24(19)22-8-3-4-10-27-22/h3-15,30H,1-2H3,(H,29,31,32).
What are the key properties of N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline?
N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline has a molecular weight of 431.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline is sourced from PubChem (CID 137103066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).