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

C27H24N6S — CID 137041360

IUPACN,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
SMILESCc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN(C)C)c6)cc45)cc23)s1
InChIInChI=1S/C27H24N6S/c1-16-7-8-25(34-16)20-5-4-6-23-21(20)11-24(30-23)26-22-10-19(14-29-27(22)32-31-26)18-9-17(12-28-13-18)15-33(2)3/h4-14,30H,15H2,1-3H3,(H,29,31,32)
InChIKeyVHCXZKIGKGNEMQ-UHFFFAOYSA-N
MW464.60 g/mol
LogP6.27
Rot. Bonds5

About 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

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 (PubChem CID 137041360) has the molecular formula C27H24N6S and a molecular weight of 464.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID137041360
Molecular FormulaC27H24N6S
Molecular Weight464.60 g/mol
Exact Mass464.18
IUPAC NameN,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
SMILESCc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN(C)C)c6)cc45)cc23)s1
InChIInChI=1S/C27H24N6S/c1-16-7-8-25(34-16)20-5-4-6-23-21(20)11-24(30-23)26-22-10-19(14-29-27(22)32-31-26)18-9-17(12-28-13-18)15-33(2)3/h4-14,30H,15H2,1-3H3,(H,29,31,32)
InChIKeyVHCXZKIGKGNEMQ-UHFFFAOYSA-N
XLogP6.27
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.60
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137280835
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137042126
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137040730
3,3-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137040086
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137114684
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137087635
N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138627153
1-[5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137041440
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
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137041237
2-(dimethylamino)-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137311975

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN(C)C)c6)cc45)cc23)s1.
What is the InChIKey of 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?
The InChIKey is VHCXZKIGKGNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6S/c1-16-7-8-25(34-16)20-5-4-6-23-21(20)11-24(30-23)26-22-10-19(14-29-27(22)32-31-26)18-9-17(12-28-13-18)15-33(2)3/h4-14,30H,15H2,1-3H3,(H,29,31,32).
What are the key properties of 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?
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 has a molecular weight of 464.60 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137041360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).