Gadopiclenol

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

C₃₅H₅₄GdN₇O₁₅ — CID 172873714

💊View drug profile → gadopiclenol

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

IUPAC2-[3-[1-carboxy-4-[(2-hydroxy-3-oxidopropyl)amino]-4-oxobutyl]-9-[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+)

SMILESO=C(CCC(C(=O)O)N1CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])Cc2cccc(n2)C1)NCC(O)C[O-].[Gd+3]

InChIInChI=1S/C35H56N7O15.Gd/c43-19-24(46)14-36-30(49)7-4-27(33(52)53)40-10-12-41(28(34(54)55)5-8-31(50)37-15-25(47)20-44)17-22-2-1-3-23(39-22)18-42(13-11-40)29(35(56)57)6-9-32(51)38-16-26(48)21-45;/h1-3,24-29,43-44,46-48H,4-21H2,(H,36,49)(H,37,50)(H,38,51)(H,52,53)(H,54,55)(H,56,57);/q-1;+3/p-2

InChIKeyBVEYRIUDZCWBRJ-UHFFFAOYSA-L

MW970.10 g/mol

LogP-8.19

Rot. Bonds24

About Gadopiclenol

Gadopiclenol (PubChem CID 172873714) has the molecular formula C₃₅H₅₄GdN₇O₁₅ and a molecular weight of 970.10 g/mol. Its IUPAC name is 2-[3-[1-carboxy-4-[(2-hydroxy-3-oxidopropyl)amino]-4-oxobutyl]-9-[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+).

Molecular Properties

Compound Name	Gadopiclenol
PubChem CID	172873714
Molecular Formula	C₃₅H₅₄GdN₇O₁₅
Molecular Weight	970.10 g/mol
Exact Mass	970.29
IUPAC Name	2-[3-[1-carboxy-4-[(2-hydroxy-3-oxidopropyl)amino]-4-oxobutyl]-9-[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+)
SMILES	O=C(CCC(C(=O)O)N1CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])Cc2cccc(n2)C1)NCC(O)C[O-].[Gd+3]
InChI	InChI=1S/C35H56N7O15.Gd/c43-19-24(46)14-36-30(49)7-4-27(33(52)53)40-10-12-41(28(34(54)55)5-8-31(50)37-15-25(47)20-44)17-22-2-1-3-23(39-22)18-42(13-11-40)29(35(56)57)6-9-32(51)38-16-26(48)21-45;/h1-3,24-29,43-44,46-48H,4-21H2,(H,36,49)(H,37,50)(H,38,51)(H,52,53)(H,54,55)(H,56,57);/q-1;+3/p-2
InChIKey	BVEYRIUDZCWBRJ-UHFFFAOYSA-L
XLogP	-8.19
TPSA	351.68 Å²
H-Bond Donors	9
H-Bond Acceptors	18
Rotatable Bonds	24
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.10
LogP ≤ 5	-8.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Related Compounds

🔗 Related compound forms

Tautomers, salt forms, and related identifiers from PubChem CID-Parent + CID-Component (110 M edges in our graph).

Salt forms / components

Frequently Asked Questions

What is the IUPAC name of Gadopiclenol?

The IUPAC name of Gadopiclenol (CID 172873714) is 2-[3-[1-carboxy-4-[(2-hydroxy-3-oxidopropyl)amino]-4-oxobutyl]-9-[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+).

What is the SMILES notation for Gadopiclenol?

The canonical SMILES for Gadopiclenol is O=C(CCC(C(=O)O)N1CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])CCN(C(CCC(=O)NCC(O)CO)C(=O)[O-])Cc2cccc(n2)C1)NCC(O)C[O-].[Gd+3].

What is the InChIKey of Gadopiclenol?

The InChIKey is BVEYRIUDZCWBRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C35H56N7O15.Gd/c43-19-24(46)14-36-30(49)7-4-27(33(52)53)40-10-12-41(28(34(54)55)5-8-31(50)37-15-25(47)20-44)17-22-2-1-3-23(39-22)18-42(13-11-40)29(35(56)57)6-9-32(51)38-16-26(48)21-45;/h1-3,24-29,43-44,46-48H,4-21H2,(H,36,49)(H,37,50)(H,38,51)(H,52,53)(H,54,55)(H,56,57);/q-1;+3/p-2.

What are the key properties of Gadopiclenol?

Gadopiclenol has a molecular weight of 970.10 g/mol, XLogP of -8.19, 24 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Gadopiclenol is sourced from PubChem (CID 172873714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: P · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 172873714 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5681 — approved-drug record (CC BY-SA 4.0)

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