Velsecorat

Name: Velsecorat — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₂H₃₂F₂N₄O₆ — CID 139593415

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

IUPAC3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide

SMILESC[C@@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2

InChIInChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m1/s1

InChIKeyZZWJKLGCDHYVMB-XGBAOLAVSA-N

MW606.63 g/mol

LogP4.60

Rot. Bonds9

About Velsecorat

Velsecorat (PubChem CID 139593415) has the molecular formula C₃₂H₃₂F₂N₄O₆ and a molecular weight of 606.63 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name	Velsecorat
PubChem CID	139593415
Molecular Formula	C₃₂H₃₂F₂N₄O₆
Molecular Weight	606.63 g/mol
Exact Mass	606.23
IUPAC Name	3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
SMILES	C[C@@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2
InChI	InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m1/s1
InChIKey	ZZWJKLGCDHYVMB-XGBAOLAVSA-N
XLogP	4.60
TPSA	112.94 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.63
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Velsecorat?

The IUPAC name of Velsecorat (CID 139593415) is 3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide.

What is the SMILES notation for Velsecorat?

The canonical SMILES for Velsecorat is C[C@@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2.

What is the InChIKey of Velsecorat?

The InChIKey is ZZWJKLGCDHYVMB-XGBAOLAVSA-N. The full InChI is InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m1/s1.

What are the key properties of Velsecorat?

Velsecorat has a molecular weight of 606.63 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Velsecorat is sourced from PubChem (CID 139593415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139593415 — identifiers, structure, computed properties (public domain)

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