Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate

Name: Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₂N₄O₂ — CID 21048674

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate

SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(-c4cccnc4)ccc23)cc2ccccc21

InChIInChI=1S/C25H22N4O2/c1-25(2,3)31-24(30)29-21-9-5-4-7-17(21)14-22(29)23-19-11-10-16(13-20(19)27-28-23)18-8-6-12-26-15-18/h4-15H,1-3H3,(H,27,28)

InChIKeyMVBLKPGLYHECDI-UHFFFAOYSA-N

MW410.48 g/mol

LogP6.03

Rot. Bonds2

About Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate

Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate (PubChem CID 21048674) has the molecular formula C₂₅H₂₂N₄O₂ and a molecular weight of 410.48 g/mol. Its IUPAC name is tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate.

Molecular Properties

Compound Name	Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate
PubChem CID	21048674
Molecular Formula	C₂₅H₂₂N₄O₂
Molecular Weight	410.48 g/mol
Exact Mass	410.17
IUPAC Name	tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate
SMILES	CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(-c4cccnc4)ccc23)cc2ccccc21
InChI	InChI=1S/C25H22N4O2/c1-25(2,3)31-24(30)29-21-9-5-4-7-17(21)14-22(29)23-19-11-10-16(13-20(19)27-28-23)18-8-6-12-26-15-18/h4-15H,1-3H3,(H,27,28)
InChIKey	MVBLKPGLYHECDI-UHFFFAOYSA-N
XLogP	6.03
TPSA	72.80 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate?

The IUPAC name of Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate (CID 21048674) is tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate.

What is the SMILES notation for Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate?

The canonical SMILES for Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(-c4cccnc4)ccc23)cc2ccccc21.

What is the InChIKey of Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate?

The InChIKey is MVBLKPGLYHECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-25(2,3)31-24(30)29-21-9-5-4-7-17(21)14-22(29)23-19-11-10-16(13-20(19)27-28-23)18-8-6-12-26-15-18/h4-15H,1-3H3,(H,27,28).

What are the key properties of Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate?

Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate has a molecular weight of 410.48 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 2-(6-pyridin-3-yl-1H-indazol-3-yl)indole-1-carboxylate is sourced from PubChem (CID 21048674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 21048674 — identifiers, structure, computed properties (public domain)

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