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

C23H21N5S — CID 137038366

IUPAC2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cs1
InChIInChI=1S/C23H21N5S/c1-2-20-18(9-15(1)14-3-6-24-7-4-14)23(28-27-20)21-10-17-19(16-5-8-29-13-16)11-25-12-22(17)26-21/h1-2,5,8-14,24,26H,3-4,6-7H2,(H,27,28)
InChIKeyIKNMCHSOXBKMFH-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.30
Rot. Bonds3

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

2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137038366) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137038366
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cs1
InChIInChI=1S/C23H21N5S/c1-2-20-18(9-15(1)14-3-6-24-7-4-14)23(28-27-20)21-10-17-19(16-5-8-29-13-16)11-25-12-22(17)26-21/h1-2,5,8-14,24,26H,3-4,6-7H2,(H,27,28)
InChIKeyIKNMCHSOXBKMFH-UHFFFAOYSA-N
XLogP5.30
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine (CID 137038366) is 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cs1.
What is the InChIKey of 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is IKNMCHSOXBKMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-2-20-18(9-15(1)14-3-6-24-7-4-14)23(28-27-20)21-10-17-19(16-5-8-29-13-16)11-25-12-22(17)26-21/h1-2,5,8-14,24,26H,3-4,6-7H2,(H,27,28).
What are the key properties of 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 399.52 g/mol, XLogP of 5.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).