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

C25H21N7S — CID 138604387

IUPACN,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESCc1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N(C)C)c6)cc45)cc23)s1
InChIInChI=1S/C25H21N7S/c1-14-4-5-22(33-14)18-6-7-27-24-19(18)10-21(29-24)23-20-9-16(12-28-25(20)31-30-23)15-8-17(32(2)3)13-26-11-15/h4-13H,1-3H3,(H,27,29)(H,28,30,31)
InChIKeyFQOGUTCCMDPIED-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.67
Rot. Bonds4

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

N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 138604387) has the molecular formula C25H21N7S and a molecular weight of 451.56 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
PubChem CID138604387
Molecular FormulaC25H21N7S
Molecular Weight451.56 g/mol
Exact Mass451.16
IUPAC NameN,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESCc1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N(C)C)c6)cc45)cc23)s1
InChIInChI=1S/C25H21N7S/c1-14-4-5-22(33-14)18-6-7-27-24-19(18)10-21(29-24)23-20-9-16(12-28-25(20)31-30-23)15-8-17(32(2)3)13-26-11-15/h4-13H,1-3H3,(H,27,29)(H,28,30,31)
InChIKeyFQOGUTCCMDPIED-UHFFFAOYSA-N
XLogP5.67
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(5-methoxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137087252
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 138603918
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 138604422
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137117158
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145250400
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137041360
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137038135
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-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137310806
5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137280835
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 138604153
2-(dimethylamino)-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041347

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 138604387) is N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is Cc1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N(C)C)c6)cc45)cc23)s1.
What is the InChIKey of N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is FQOGUTCCMDPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7S/c1-14-4-5-22(33-14)18-6-7-27-24-19(18)10-21(29-24)23-20-9-16(12-28-25(20)31-30-23)15-8-17(32(2)3)13-26-11-15/h4-13H,1-3H3,(H,27,29)(H,28,30,31).
What are the key properties of N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 451.56 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 138604387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).