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

C26H21N7 — CID 137111530

IUPACN,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-33(2)18-11-17(14-27-15-18)16-6-7-23-21(12-16)25(32-31-23)24-13-20-19(8-10-29-26(20)30-24)22-5-3-4-9-28-22/h3-15H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQHNOQGQGKMSCGT-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.30
Rot. Bonds4

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

N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137111530) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137111530
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC NameN,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-33(2)18-11-17(14-27-15-18)16-6-7-23-21(12-16)25(32-31-23)24-13-20-19(8-10-29-26(20)30-24)22-5-3-4-9-28-22/h3-15H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQHNOQGQGKMSCGT-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

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Related Compounds

N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137038048
5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137112068
N-but-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087471
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137111689
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137283013
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112020
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087139
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145254195
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252791
2-cyclohexyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137111562
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137283033
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
CID 137283027

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137111530) is N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is QHNOQGQGKMSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-33(2)18-11-17(14-27-15-18)16-6-7-23-21(12-16)25(32-31-23)24-13-20-19(8-10-29-26(20)30-24)22-5-3-4-9-28-22/h3-15H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine 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-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137111530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).