2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine

C22H14N6S — CID 137038228

IUPAC2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)c1
InChIInChI=1S/C22H14N6S/c1-2-21(29-5-1)17-10-23-11-20-15(17)7-19(26-20)22-16-6-13(3-4-18(16)27-28-22)14-8-24-12-25-9-14/h1-12,26H,(H,27,28)
InChIKeyGNMUITMZQOQUKH-UHFFFAOYSA-N
MW394.46 g/mol
LogP5.29
Rot. Bonds3

About 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine

2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137038228) has the molecular formula C22H14N6S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137038228
Molecular FormulaC22H14N6S
Molecular Weight394.46 g/mol
Exact Mass394.10
IUPAC Name2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)c1
InChIInChI=1S/C22H14N6S/c1-2-21(29-5-1)17-10-23-11-20-15(17)7-19(26-20)22-16-6-13(3-4-18(16)27-28-22)14-8-24-12-25-9-14/h1-12,26H,(H,27,28)
InChIKeyGNMUITMZQOQUKH-UHFFFAOYSA-N
XLogP5.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116884
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137087926
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117043
3-methyl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137117025
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116471
5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137311281
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112329
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310678
5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 150519815
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115746
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033375

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (CID 137038228) is 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)c1.
What is the InChIKey of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is GNMUITMZQOQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6S/c1-2-21(29-5-1)17-10-23-11-20-15(17)7-19(26-20)22-16-6-13(3-4-18(16)27-28-22)14-8-24-12-25-9-14/h1-12,26H,(H,27,28).
What are the key properties of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 394.46 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137038228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).